data_5xnd_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 5xnd _Structure_validation_residue.Date_analyzed 2017-12-22 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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.626 . . . . 74.019999999999996 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.622 ' CD1' ' CG2' ' A' ' 50' ' ' ILE . 8.2 m-85 -52.1 -21.11 2.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 73.310000000000002 111.013 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.09 -23.55 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.291 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -82.77 -51.21 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 74.549999999999997 109.959 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.11 -62.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -104.54 -176.52 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 109.31 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -83.72 121.83 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 73.040000000000006 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -53.2 -31.56 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.209999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.24 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 74.140000000000001 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.18 -58.47 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 110.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 13' ' ' THR . 20.9 m -57.85 -30.48 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 74.129999999999995 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.419 ' N ' HG23 ' A' ' 12' ' ' VAL . 1.1 m -50.66 -55.17 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 71.120000000000005 110.362 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.02 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.294 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.89 -18.32 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.25 -29.43 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -84.27 -17.09 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 72.030000000000001 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -14.87 81.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 111.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' C ' ' N ' ' A' ' 21' ' ' ALA . 9.3 p -108.45 -20.17 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.255 -1.017 . . . . 74.420000000000002 108.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -40.35 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 71.099999999999994 109.265 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 19' ' ' CYS . . . -73.49 117.16 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 64.120000000000005 109.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' SER . . . -50.64 149.37 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 109.288 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 39.47 29.55 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 64.340000000000003 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.419 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 1.5 t -125.6 2.78 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.966 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 23.5 t80 -65.67 125.35 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.549999999999997 111.037 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 1.3 m-20 -123.52 82.35 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 74.409999999999997 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 26.1 p-80 -40.22 -56.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.439999999999998 109.572 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 50.2 mttt -43.2 -51.09 6.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -62.49 -38.04 88.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.295 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 1.6 t80 -59.62 -63.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 73.109999999999999 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CG2' ' A' ' 107' ' ' ILE . 12.0 m-85 -56.99 -36.91 70.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 110.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -73.16 -25.12 60.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 109.245 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -61.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 51.530000000000001 109.347 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 7.7 p -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 108.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.11 -9.74 59.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.975 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' PHE . 10.8 mt -40.38 -38.31 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 74.409999999999997 109.311 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -71.57 117.77 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.81 -22.08 41.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.27 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 74.430000000000007 109.299 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.91 140.66 32.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 109.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -66.21 -9.68 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 75.219999999999999 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -78.98 -55.12 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 63.329999999999998 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.5 pt-20 -58.33 -40.66 82.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 107' ' ' ILE . 69.2 t -46.59 -50.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 63.130000000000003 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 45.6 mttm -54.24 -32.19 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mmmt -80.1 -24.16 40.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -21.56 36.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 109.283 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 30.4 t80 -72.58 -20.77 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 110.96 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.12 -44.59 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 61.219999999999999 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.622 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 8.9 mm -41.31 -47.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 mt -70.88 -61.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.25 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -40.38 103.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 74.209999999999994 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 26.6 mt-30 -95.2 -23.49 17.24 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.639 1.685 . . . . 74.519999999999996 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.1 p-10 -113.15 3.97 16.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.857 -1.068 . . . . 73.430000000000007 109.962 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 41.09 49.48 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 109.314 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -74.0 -4.62 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 75.329999999999998 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 96.16 -28.31 13.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 111.055 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.415 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 12.9 m-85 -136.89 177.98 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 75.239999999999995 110.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.469 HD12 ' CE1' ' A' ' 48' ' ' PHE . 36.5 mt -118.83 76.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.240000000000002 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -47.5 163.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 74.099999999999994 110.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.22 -24.67 28.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 73.430000000000007 110.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.95 -25.6 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -86.0 -26.4 25.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.549999999999997 110.259 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 11.4 mt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.4 -15.87 30.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 75.120000000000005 109.287 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 mt -92.82 27.36 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.150000000000006 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 53.7 t80 -81.42 7.4 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 110.991 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.9 mt -118.53 -7.64 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.420000000000002 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 38.0 mt-30 -91.86 1.67 57.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 72.430000000000007 110.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.59 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.9 p30 -83.53 -45.49 13.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 71.010000000000005 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 30' ' ' PHE . 71.9 m-85 -82.84 6.13 19.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -177.28 151.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.09 64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 71.310000000000002 109.288 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 177.51 -34.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 62.32 110.99 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' GLY . . . -39.61 139.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 73.239999999999995 109.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -56.74 -170.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 75.200000000000003 110.29 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' LEU . . . -127.13 133.37 50.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.32 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 25' ' ' PHE . 1.8 mm? -40.28 147.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 64.129999999999995 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -60.15 -176.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 61.219999999999999 109.962 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.98 -29.67 66.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 64.329999999999998 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -86.95 -50.55 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 72.519999999999996 109.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -46.3 -45.35 17.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 62.310000000000002 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 m -68.3 -27.79 66.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.432 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ALA . 18.4 mttm -71.34 -45.83 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.8 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 73.099999999999994 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 27' ' ' HIS . 7.0 t80 -64.93 -13.6 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 72.329999999999998 110.959 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 49.7 tp -84.15 -64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 74.409999999999997 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -23.27 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.69 66.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.450000000000003 109.308 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.81 -69.87 0.6 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 51.420000000000002 111.02 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.6 t0 -48.65 119.59 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 71.129999999999995 109.271 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -100.6 4.16 43.15 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 123.637 1.684 . . . . 70.129999999999995 110.032 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.4 p-10 -123.85 -9.6 7.77 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.948 -1.025 . . . . 62.509999999999998 109.994 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.05 63.28 2.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 74.019999999999996 110.966 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -103.06 -22.94 13.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 73.099999999999994 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.96 5.74 11.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -143.86 154.89 43.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 73.310000000000002 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 mt -126.97 104.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.54 -170.05 8.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 74.219999999999999 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -76.4 -52.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 75.010000000000005 109.271 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.75 -29.21 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.25 109.312 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.36 -36.28 19.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.405 ' O ' ' HG2' ' A' ' 106' ' ' MET . 53.3 t80 -66.12 -31.92 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 75.420000000000002 111.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.474 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.4 -3.78 59.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.430000000000007 109.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 -53.98 4.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 74.530000000000001 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.562 ' HE3' ' CE2' ' A' ' 86' ' ' PHE . 5.0 ptm -53.23 -19.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 74.040000000000006 110.947 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.546 ' CG2' ' CD2' ' A' ' 31' ' ' PHE . 17.8 pt -100.41 -44.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -61.41 -22.7 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.984 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.468 ' HB1' ' CD1' ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 73.510000000000005 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 71' ' ' PHE . 8.1 m-85 -53.08 -19.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.25 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.77 -28.24 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 t -102.38 -44.17 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 71.409999999999997 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.59 -63.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 3' ' ' PHE . 32.4 mt -107.16 -176.26 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 74.530000000000001 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.2 111.94 22.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.230000000000004 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 8.5 p-10 -57.75 -17.68 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 70.439999999999998 109.323 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -85.96 -29.2 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.271 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.6 mm-40 -86.8 -60.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.219999999999999 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 13' ' ' THR . 4.5 m -39.06 -51.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -48.39 -51.21 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 110.406 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -59.53 -34.03 72.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.329999999999998 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -73.85 -24.68 59.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 74.450000000000003 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.55 -43.28 56.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.94 -17.0 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 62.340000000000003 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.94 -4.03 61.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.448 1.092 . . . . 55.420000000000002 110.996 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -138.82 25.15 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 71.310000000000002 108.301 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.26 -46.88 88.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 109.286 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.99 120.56 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 75.409999999999997 109.333 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 140.68 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.019999999999996 109.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.64 -24.56 16.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 111.002 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 p -98.14 14.83 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 73.319999999999993 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 78' ' ' LEU . 2.2 t80 -89.99 146.65 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 111.031 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.9 m-20 -144.43 128.78 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.340000000000003 109.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.649 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 15.7 p80 -69.41 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 62.240000000000002 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mtmm -47.55 -39.23 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.030000000000001 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.5 mmtt -66.35 -55.02 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 4.9 t80 -43.47 -63.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 111.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.8 m-85 -52.12 -26.66 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 64.439999999999998 111.012 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -86.33 -24.16 25.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.61 -28.07 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 2.7 m -94.17 -27.13 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 75.239999999999995 108.328 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 106.69 -13.46 42.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 63.219999999999999 111.02 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 7' ' ' LEU . 7.5 mt -41.44 -29.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.1 t -65.54 -51.42 59.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 110.03 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.35 5.0 82.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -76.84 -175.36 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 73.140000000000001 109.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.2 m -99.53 147.33 25.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 110.012 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -12.74 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.275 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 pt-20 -54.27 -38.14 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 74.310000000000002 110.307 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 107' ' ' ILE . 79.7 t -47.55 -45.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 73.150000000000006 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 47.1 mttm -60.02 -31.55 70.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.450000000000003 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -85.68 -20.53 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.010000000000005 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.62 -12.19 56.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 70.2 t80 -80.12 -21.63 43.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' CB ' ' HE2' ' A' ' 55' ' ' LYS . . . -86.37 -28.67 23.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 73.310000000000002 109.307 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 3' ' ' PHE . 30.8 mm -56.65 -45.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 74.129999999999995 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.7 mt -69.93 -65.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m-20 -44.24 103.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.349999999999994 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 28.8 mt-30 -84.62 -16.57 41.58 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.693 1.711 . . . . 73.230000000000004 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.7 p30 -118.3 -6.61 10.8 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.897 -1.049 . . . . 65.140000000000001 109.977 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HE2' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER 49.55 55.8 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.3 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.4 p -74.44 -11.38 60.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 74.019999999999996 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.39 -17.43 40.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 51.25 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -141.83 -175.43 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 111.038 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 11.7 mt -126.89 79.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 71.200000000000003 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -49.45 166.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 110.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.86 -33.0 74.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.329999999999998 110.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -73.95 -20.96 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.242 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 12.1 mt-10 -94.47 -17.72 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 73.049999999999997 110.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD21 ' CG2' ' A' ' 59' ' ' ILE . 12.0 mt -61.45 -46.04 91.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.289 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -14.06 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 63' ' ' GLU . 13.4 mt -90.33 16.85 7.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 65.439999999999998 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.766 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -62.97 -12.13 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.209999999999994 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 30' ' ' PHE . 8.3 mt -100.74 -12.56 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.409999999999997 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 29.2 mt-30 -73.97 -2.93 26.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.588 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 4.9 p30 -83.7 -45.29 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 3' ' ' PHE . 40.0 m-85 -85.68 8.48 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 3.2 tppt? -175.12 150.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 75.140000000000001 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.96 21.09 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 63.439999999999998 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.68 24.48 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 60.229999999999997 111.017 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.48 164.6 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 54.439999999999998 109.292 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.82 156.79 28.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 110.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.51 136.3 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 65.140000000000001 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD13 ' CD2' ' A' ' 25' ' ' PHE . 1.7 mm? -70.09 136.91 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 75.329999999999998 109.32 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.4 m -61.14 146.18 48.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.239999999999995 109.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.5 -30.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -68.78 -65.21 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 4.2 mp0 -49.43 -50.52 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.530000000000001 110.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -59.94 -36.91 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 60.130000000000003 110.437 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -59.5 -49.92 75.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 75.439999999999998 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -70.56 -16.27 62.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 75.310000000000002 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.649 ' CE1' ' CB ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -82.62 -31.98 28.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 74.239999999999995 111.006 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -75.04 -64.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.510000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -56.03 -19.72 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 72.109999999999999 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -61.79 -55.21 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 71.109999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.73 -57.24 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 74.129999999999995 110.971 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.418 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 6.0 t0 -59.03 119.54 7.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 70.030000000000001 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -100.56 -17.89 16.87 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 123.622 1.677 . . . . 65.310000000000002 110.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 11.9 p-10 -93.3 -15.57 25.65 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.948 -1.025 . . . . 74.540000000000006 109.999 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 53.53 60.2 8.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 63.340000000000003 110.992 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -101.86 -21.41 14.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 73.409999999999997 109.342 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.67 -1.08 29.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.939 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -130.19 149.04 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 74.109999999999999 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.418 ' CG1' ' HB2' ' A' ' 91' ' ' ASP . 3.4 mt -129.68 103.18 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.04 1.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.084 . . . . 71.510000000000005 111.028 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -82.06 -34.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 61.030000000000001 109.333 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -28.63 67.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 72.109999999999999 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.94 -37.5 16.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.249 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.409 ' O ' ' HG2' ' A' ' 106' ' ' MET . 9.1 t80 -72.94 -31.44 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.450000000000003 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.82 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.5 -54.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.454 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 6.1 ptm -51.45 -20.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 104' ' ' ALA . 11.8 pt -98.36 -43.15 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -66.09 -16.37 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 74.310000000000002 109.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 72.340000000000003 110.996 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.41 ' CB ' HD13 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.254 -0.647 . . . . 75.129999999999995 109.254 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.73 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 9.2 m-85 -48.23 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 111.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' OD2' ' A' ' 9' ' ' ASP . . . -43.6 -27.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 m -100.48 -42.74 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.6 -63.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 73.409999999999997 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.464 HD13 ' CE2' ' A' ' 3' ' ' PHE . 8.4 mt -114.55 -176.34 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 66.6 mmtt -82.81 122.48 28.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.299999999999997 109.337 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.485 ' OD2' ' CB ' ' A' ' 4' ' ' ALA . 13.2 m-20 -59.59 -21.26 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 70.439999999999998 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.78 -19.63 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 16.3 mm-40 -87.95 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 65.030000000000001 110.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 13.6 m -40.33 -52.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.25 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -44.71 -51.35 9.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 75.450000000000003 110.371 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.39 -38.66 69.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 71.200000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -61.37 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.59 -54.3 45.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 74.150000000000006 109.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.94 -14.14 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 74.530000000000001 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.65 -15.53 71.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 71.109999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -133.32 28.3 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 72.040000000000006 109.279 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 149.62 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 72.340000000000003 109.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.71 153.36 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 8.23 48.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 61.509999999999998 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -123.9 24.94 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 74.430000000000007 109.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 78' ' ' LEU . 74.2 t80 -75.07 141.13 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 110.966 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -144.66 94.14 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 86' ' ' PHE . 31.6 p80 -61.21 -59.42 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 109.568 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 5.4 pttt -40.02 -59.93 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.1 mptp? -53.83 -54.13 42.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.530000000000001 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 15' ' ' ALA . 5.1 t80 -41.61 -63.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 74.319999999999993 111.0 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.4 m-85 -52.14 -25.75 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.319999999999993 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 12.3 mmtt -87.54 -23.93 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 75.430000000000007 109.325 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.01 -31.61 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.040000000000006 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.554 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 m -89.35 -27.18 20.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 75.5 108.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 106.79 -13.98 41.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mt -40.47 -30.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 0.772 . . . . 71.329999999999998 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 32' ' ' LYS . 1.5 t -69.38 -59.2 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 74.420000000000002 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.61 -5.71 69.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 73.120000000000005 111.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 7' ' ' LEU . 15.2 mmtt -69.04 -174.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 72.310000000000002 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -98.08 146.96 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.019999999999996 109.993 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -63.18 -12.3 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 110.439 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.91 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 74.219999999999999 109.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.5 pt-20 -57.34 -39.47 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 71.530000000000001 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 107' ' ' ILE . 69.2 t -42.36 -47.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' CG ' HD12 ' A' ' 100' ' ' ILE . 22.9 mttm -54.41 -44.4 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . 2.6 mtmt -75.05 -20.5 59.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -11.62 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 75.1 t80 -85.44 -20.68 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' CB ' ' NZ ' ' A' ' 55' ' ' LYS . . . -83.58 -43.1 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 3' ' ' PHE . 6.7 mm -40.49 -47.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.510000000000005 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.8 mt -70.96 -64.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 75.120000000000005 109.335 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 73.3 m-20 -43.26 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 12.2 mt-30 -88.15 -33.34 18.25 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.594 1.664 . . . . 72.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -98.07 -6.25 32.14 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 117.93 -1.033 . . . . 64.109999999999999 109.998 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' NZ ' ' CB ' ' A' ' 49' ' ' ALA . 7.9 mmmt 49.49 54.51 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 109.297 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -74.72 -6.95 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.120000000000005 110.002 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 -5.4 71.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 74.230000000000004 110.984 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.08 -178.22 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 73.120000000000005 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.546 HD11 ' CE2' ' A' ' 48' ' ' PHE . 24.9 mt -127.64 81.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 72.430000000000007 109.254 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -48.13 175.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 110.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.28 -28.28 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.345 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -80.73 -21.99 40.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.510000000000005 110.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -85.93 -22.55 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 60.310000000000002 110.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.82 -40.12 91.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 73.420000000000002 109.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.56 -13.11 61.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' CD2' ' NE2' ' A' ' 69' ' ' GLN . 11.3 mt -94.44 26.9 3.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 70.400000000000006 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.792 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -70.03 -11.36 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.010000000000005 111.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -102.0 -13.58 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.345 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.46 ' NE2' ' CD2' ' A' ' 66' ' ' LEU . 49.5 mt-30 -71.1 -5.71 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.549999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 5.1 p30 -82.75 -45.19 14.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 73.409999999999997 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.73 ' CE2' ' CE1' ' A' ' 3' ' ' PHE . 34.5 m-85 -83.43 10.02 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 111.034 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.47 147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.47 29.8 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.74 29.38 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 71.099999999999994 110.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.27 158.06 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 70.409999999999997 109.264 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.38 160.21 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 110.281 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.13 145.56 29.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 72.25 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 25' ' ' PHE . 1.9 mm? -76.64 168.29 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.109999999999999 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.8 t -77.68 167.89 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 73.510000000000005 110.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -24.28 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.439999999999998 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.21 -51.89 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 61.43 109.357 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -52.84 -55.45 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 74.530000000000001 110.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 m -56.49 -30.53 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 74.310000000000002 110.418 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -68.24 -62.81 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.45 -24.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.561 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -80.01 -40.81 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.409999999999997 111.0 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.62 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -54.25 -31.09 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.56 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . . . -57.4 -36.07 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -71.53 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 65.310000000000002 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -45.21 119.83 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 109.263 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -12.48 19.48 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 123.607 1.67 . . . . 72.409999999999997 110.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.8 p-10 -104.43 -9.15 18.63 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.862 -1.066 . . . . 70.040000000000006 109.944 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 47.51 62.78 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 73.230000000000004 111.013 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -105.08 -23.04 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 73.239999999999995 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 -0.7 22.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 43.130000000000003 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -130.81 154.46 48.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 74.200000000000003 109.279 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.43 108.52 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 74.030000000000001 109.335 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.13 -162.94 10.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 74.299999999999997 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.432 HD12 ' CG ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -83.86 -34.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 64.349999999999994 109.279 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -28.96 66.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 72.540000000000006 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.73 -33.95 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.209999999999994 110.311 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 12.4 t80 -76.35 -31.44 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.79 -4.03 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.099999999999994 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.46 -54.3 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 63.329999999999998 109.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.511 ' HE3' ' CD2' ' A' ' 86' ' ' PHE . 3.8 ptm -51.67 -21.21 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.329999999999998 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 104' ' ' ALA . 12.6 pt -97.42 -43.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 74.209999999999994 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -66.87 -15.85 63.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 74.040000000000006 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 60.299999999999997 110.959 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.34 -0.615 . . . . 75.400000000000006 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.763 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.5 m-85 -48.66 -24.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 74.25 111.007 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -28.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 63.310000000000002 109.322 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 m -79.26 -53.55 6.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 110.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.58 -62.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.099999999999994 109.293 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -105.76 175.37 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.296 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.0 131.2 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 73.420000000000002 109.331 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.12 -34.95 46.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 75.109999999999999 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.23 -26.14 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 53.149999999999999 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mm-40 -76.62 -62.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.049999999999997 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 15' ' ' ALA . 20.6 m -52.08 -31.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.29 -52.24 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.150000000000006 110.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.41 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 109.286 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -78.13 -27.76 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -79.42 -29.36 41.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.549999999999997 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.87 -23.4 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.19 -7.01 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.020000000000003 110.992 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.74 24.46 5.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.281 -1.007 . . . . 74.349999999999994 108.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.97 -39.06 63.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.209999999999994 109.336 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.65 135.52 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 75.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 124.63 23.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.46 -3.85 85.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 74.329999999999998 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -99.95 10.79 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 0.724 . . . . 73.319999999999993 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 78' ' ' LEU . 9.4 t80 -83.15 108.67 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 70.510000000000005 111.005 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.6 m-20 -111.59 95.07 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 65.329999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -40.75 -62.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 75.0 109.613 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -42.72 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 6.0 mmmm -48.67 -59.95 3.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 75.310000000000002 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.6 t80 -39.5 -63.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.450000000000003 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CG ' HG22 ' A' ' 107' ' ' ILE . 42.5 m-85 -59.08 -26.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.120000000000005 110.931 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.5 mtpm? -80.59 -18.47 48.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 109.286 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -83.78 -62.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.99 -18.13 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 71.150000000000006 108.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.99 -4.41 78.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 71.200000000000003 110.994 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.38 -31.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 75.400000000000006 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.1 t -68.35 -52.21 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 70.140000000000001 110.034 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -82.94 -0.94 90.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 53.450000000000003 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' GLY . 18.9 mmtt -68.38 -171.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 75.230000000000004 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 m -103.61 137.89 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -52.26 -20.7 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 110.388 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -61.31 -63.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 109.308 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' ALA . 6.3 pt-20 -59.79 -38.45 81.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.329 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 107' ' ' ILE . 70.0 t -43.36 -51.44 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -59.9 -37.67 80.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 72.450000000000003 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.5 mtpm? -73.56 -20.53 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.439999999999998 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -80.96 -35.51 32.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.140000000000001 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 59' ' ' ILE . 84.1 t80 -62.29 -21.59 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.29 -12.61 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.681 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 14.2 mm -70.77 -59.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 74.25 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.474 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.91 -70.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.354 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 2.0 t0 -41.02 103.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.314 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.9 mt-30 -93.59 -41.66 9.62 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 123.634 1.683 . . . . 75.219999999999999 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 29.2 p30 -73.69 -20.31 60.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.919 -1.039 . . . . 72.5 109.967 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 53.76 25.1 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 73.120000000000005 109.329 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' CG ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -48.25 -24.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.439999999999998 110.044 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.05 -54.83 0.77 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 62.539999999999999 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CG ' ' NZ ' ' A' ' 97' ' ' LYS . 14.5 m-85 -127.22 134.68 50.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 72.109999999999999 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.565 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 96.4 mt -68.71 83.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 72.329999999999998 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.16 166.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 63.140000000000001 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -34.51 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 71.219999999999999 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.69 -26.47 67.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.049999999999997 110.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 87' ' ' LEU . 11.9 mt -51.45 -54.07 30.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 74.349999999999994 109.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.95 -20.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.129999999999995 109.345 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.77 27.38 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 71.340000000000003 109.287 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 79.1 t80 -77.72 2.79 15.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.129999999999995 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.0 mt -117.92 -7.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 109.304 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.92 1.05 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.7 p30 -84.4 -46.02 12.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 65.329999999999998 109.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 53.0 m-85 -81.4 4.11 22.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 74.140000000000001 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -175.15 149.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.7 24.68 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 65.420000000000002 109.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.32 21.01 0.84 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -87.93 151.69 22.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 0.8 . . . . 74.140000000000001 109.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -61.59 -170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.3 124.43 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 64.25 109.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -40.37 134.19 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.540000000000006 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -61.66 167.22 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.140000000000001 109.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -23.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.297 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.84 -61.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.287 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.6 mp0 -49.44 -22.78 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 75.540000000000006 110.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.0 m -89.37 -28.7 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.403 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.5 mtpt -74.89 -40.36 60.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 75.510000000000005 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.12 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.526 ' CD2' ' HE2' ' A' ' 106' ' ' MET . 7.7 t80 -81.19 -15.72 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 74.349999999999994 111.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 46.0 tp -82.32 -52.11 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.54 -26.7 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 75.230000000000004 109.35 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -65.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 62.229999999999997 109.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.58 -72.96 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.112 . . . . 63.299999999999997 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -44.9 119.67 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 62.32 109.298 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 t -100.62 -37.95 8.55 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 123.611 1.672 . . . . 71.209999999999994 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.6 p-10 -72.9 -9.53 58.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 117.936 -1.031 . . . . 72.140000000000001 110.007 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.21 53.25 31.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 111.016 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.53 -22.91 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 71.439999999999998 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 13.05 23.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.546 ' NZ ' ' CG ' ' A' ' 58' ' ' PHE . 4.9 mtmp? -135.46 147.41 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.75 . . . . 71.209999999999994 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.469 ' CD1' HD13 ' A' ' 64' ' ' LEU . 3.8 mt -123.45 107.52 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 70.010000000000005 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.8 -163.88 32.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 74.120000000000005 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -39.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 72.230000000000004 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -16.63 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 73.340000000000003 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -98.63 -38.72 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 64.010000000000005 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.47 -26.6 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 74.349999999999994 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.47 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.19 -12.51 49.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 64.219999999999999 109.321 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.69 -51.59 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.526 ' HE2' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.05 -18.37 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 111.033 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.502 HG22 ' CG ' ' A' ' 31' ' ' PHE . 24.5 pt -100.61 -44.99 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 73.340000000000003 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -30.69 63.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 71.099999999999994 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 64.219999999999999 110.982 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.431 ' CB ' HG22 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.296 -0.631 . . . . 64.239999999999995 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.6 m-85 -59.24 -15.61 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 62.450000000000003 110.982 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 51.329999999999998 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 p -82.13 -54.61 5.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 110.07 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.84 -63.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 3' ' ' PHE . 0.7 OUTLIER -115.97 -176.42 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.302 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -93.79 136.17 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.285 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -60.16 -16.09 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 62.240000000000002 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.64 -25.01 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 54.210000000000001 109.329 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -86.96 -66.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.219999999999999 110.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 71' ' ' PHE . 13.7 m -41.28 -40.54 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.32 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.59 -54.44 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 110.426 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -49.89 -36.01 25.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . . . -69.19 -36.14 76.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.18 -36.0 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 65.049999999999997 109.288 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -89.4 -15.99 31.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 64.049999999999997 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -68.72 -6.78 52.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 51.210000000000001 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 22.8 p -137.19 24.19 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.324 -0.991 . . . . 70.409999999999997 108.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -56.16 -46.77 79.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 75.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 98.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.030000000000001 109.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.84 130.06 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.52 39.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 53.229999999999997 110.995 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.99 18.0 15.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 74.010000000000005 109.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.59 124.3 26.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.965 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 6.2 m-20 -130.7 86.37 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 109.336 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 54.4 p-80 -40.0 -56.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 62.43 109.57 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 29.0 mtmt -47.6 -45.31 27.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 47.9 mmtt -62.63 -59.7 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.345 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 15' ' ' ALA . 2.1 t80 -39.05 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 75.349999999999994 110.958 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 57.9 m-85 -52.09 -36.64 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.120000000000005 111.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -73.89 -23.31 59.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.340000000000003 109.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -73.34 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 53.32 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 7.6 p -62.37 -20.43 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.340000000000003 108.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.32 -11.25 54.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 110.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' PHE . 11.0 mt -40.45 -37.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 74.25 109.335 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -69.54 112.03 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 74.129999999999995 109.969 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 -20.98 41.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 52.109999999999999 110.998 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -53.84 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 74.530000000000001 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -84.26 139.56 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 110.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -63.95 -11.3 27.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.404 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -76.11 -54.56 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 72.420000000000002 109.309 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.0 -38.24 82.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 75.129999999999995 110.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 107' ' ' ILE . 78.4 t -48.88 -55.58 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 64.549999999999997 109.29 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 39.6 mttm -45.53 -34.45 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 64.400000000000006 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 8.2 mmmm -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.14 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 43.32 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CZ ' HG13 ' A' ' 59' ' ' ILE . 65.9 t80 -59.4 -23.99 63.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.510000000000005 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.37 -20.31 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 109.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.557 HG23 ' CD1' ' A' ' 3' ' ' PHE . 12.7 mm -70.01 -47.88 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.5 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 8.3 mt -71.1 -68.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 71.450000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 59' ' ' ILE . 6.1 m-20 -43.84 103.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.430000000000007 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 29.3 mt-30 -88.84 -13.05 40.2 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.633 1.683 . . . . 74.340000000000003 110.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.3 p30 -108.25 -23.57 11.87 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.932 -1.032 . . . . 70.329999999999998 109.964 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 1.9 mmmm 58.21 21.74 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 74.319999999999993 109.351 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.14 -53.65 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 74.310000000000002 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.92 -36.56 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 110.978 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -140.42 132.32 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 71.420000000000002 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.568 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 67.0 mt -68.17 103.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 73.209999999999994 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.98 169.73 16.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 71.549999999999997 110.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -59.18 -24.63 63.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 110.255 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.26 -17.22 55.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 110.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -96.4 -26.89 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 110.31 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 98' ' ' ILE . 10.6 mt -61.6 -25.63 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.030000000000001 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 77' ' ' ALA . 9.0 ptmm? -83.81 -11.93 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.510000000000005 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.44 20.04 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 40.3 t80 -61.18 -13.6 19.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.450000000000003 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.95 -12.24 18.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 75.420000000000002 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 50.4 mt-30 -74.72 -2.05 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 71.340000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.593 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 5.0 p30 -82.61 -43.45 16.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 75.430000000000007 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 48.9 m-85 -85.78 9.35 16.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.099999999999994 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 3.4 tmtt? -179.02 148.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.278 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.81 29.93 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.22 27.29 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.84 153.53 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 72.349999999999994 109.299 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.8 ptt180 -57.37 -177.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 73.120000000000005 110.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 65' ' ' LYS . . . -127.84 111.86 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -41.22 139.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 73.140000000000001 109.309 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -67.92 161.98 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 73.340000000000003 110.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -49.14 -24.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -81.03 -63.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -52.11 -22.52 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.7 m -92.43 -23.92 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 19.0 mtpt -68.04 -58.48 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.13 -16.07 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 73.109999999999999 109.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 106' ' ' MET . 0.4 OUTLIER -86.81 -38.01 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.120000000000005 110.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.69 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.45 -19.4 14.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . . . -64.2 -55.81 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 75.530000000000001 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.03 -60.51 1.13 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -45.01 122.3 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.209999999999994 109.305 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -54.29 4.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.648 1.69 . . . . 60.420000000000002 109.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 95' ' ' ASP . 3.6 p30 -87.72 7.59 29.52 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.884 -1.055 . . . . 74.230000000000004 109.968 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.66 51.54 1.92 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 52.520000000000003 110.999 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 9.0 p-10 -81.2 -22.91 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 74.420000000000002 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.46 1.72 12.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 72.120000000000005 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.08 151.74 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 72.530000000000001 109.285 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 64' ' ' LEU . 3.1 mt -130.18 104.81 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.18 -165.04 5.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 75.150000000000006 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -83.72 -52.11 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 73.129999999999995 109.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.36 -29.33 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -86.61 -42.64 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 110.297 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.4 t80 -59.54 -32.3 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.53 -5.48 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.94 -54.42 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 72.319999999999993 109.288 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 86' ' ' PHE . 4.3 ptm -52.05 -20.08 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 75.439999999999998 110.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 44' ' ' VAL . 14.9 pt -99.79 -43.67 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.450000000000003 109.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -61.08 -22.8 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.428 1.08 . . . . 62.409999999999997 111.023 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.29 -0.633 . . . . 74.049999999999997 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.736 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.1 m-85 -70.92 -5.3 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 74.25 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -15.42 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 74.25 109.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -107.22 -38.32 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 109.96 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.66 -62.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 64.219999999999999 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -113.19 -176.52 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 74.540000000000006 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 1.3 mmmp? -82.55 118.29 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.98 -19.99 55.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.030000000000001 109.354 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.13 -20.64 29.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 74.140000000000001 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 85.5 mt-10 -87.69 -65.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 m -40.8 -34.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 61.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.75 -51.05 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.42 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -56.44 -34.15 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.5 -21.77 60.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 63.119999999999997 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -88.8 -29.95 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 63.219999999999999 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.95 -24.43 23.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.26 -12.48 81.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 63.219999999999999 111.0 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.3 p -108.97 -18.18 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.303 -0.999 . . . . 74.319999999999993 108.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -40.28 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.329999999999998 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' CYS . . . -78.56 109.41 12.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.55 146.73 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 74.239999999999995 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.79 18.88 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 54.149999999999999 111.036 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -123.04 13.11 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 64.450000000000003 109.96 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.1 t80 -91.59 116.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 71.030000000000001 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 53.7 t0 -114.81 94.48 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' CE1' ' CB ' ' A' ' 89' ' ' ALA . 5.6 p-80 -39.91 -48.59 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.150000000000006 109.569 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 18.5 mtmt -50.31 -48.49 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.319999999999993 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 42.0 mmtt -65.48 -58.28 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 74.109999999999999 109.263 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 13.7 t80 -38.45 -63.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.450000000000003 111.028 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 22.9 m-85 -54.27 -35.52 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 73.409999999999997 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -74.46 -19.97 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.72 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.450000000000003 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.64 -20.76 63.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 108.254 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.64 -10.17 60.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.948 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -40.14 -30.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 72.340000000000003 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 35' ' ' GLY . 16.6 p -73.98 120.48 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 60.340000000000003 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.44 -17.77 57.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 110.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -54.77 -170.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 75.209999999999994 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -94.53 138.25 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 72.219999999999999 110.012 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -54.89 -18.61 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -65.48 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.209999999999994 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.0 pt-20 -56.82 -41.58 78.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 107' ' ' ILE . 55.5 t -45.31 -44.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 73.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' HD11 ' A' ' 100' ' ' ILE . 10.9 mttm -66.81 -45.27 78.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 73.040000000000006 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 11.7 mmtt -64.01 -20.92 66.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.519999999999996 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.94 -39.62 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 2.3 t80 -63.87 -20.67 66.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 111.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.73 -5.5 59.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 73.319999999999993 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.684 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 7.6 mm -77.78 -53.68 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 70.340000000000003 109.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' CE2' ' A' ' 48' ' ' PHE . 1.4 m-20 -42.08 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.030000000000001 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.82 -15.83 31.46 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.589 1.661 . . . . 73.109999999999999 110.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 11.4 p-10 -116.71 -18.43 10.27 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 117.929 -1.034 . . . . 74.310000000000002 110.034 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 62.39 29.67 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.040000000000006 109.266 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.455 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.5 p -45.98 -27.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.329999999999998 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 122.75 -13.84 8.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.4 m-85 -153.36 174.95 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 75.540000000000006 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.536 HD13 ' CD1' ' A' ' 48' ' ' PHE . 65.7 mt -116.6 88.39 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 75.129999999999995 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -69.23 160.65 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 65.140000000000001 110.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -40.0 -34.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.519999999999996 110.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -56.54 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.54 -28.82 69.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 73.439999999999998 110.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 87' ' ' LEU . 8.7 mt -51.9 -61.65 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -57.13 -17.95 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.59 27.78 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 64.340000000000003 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 85.7 t80 -78.09 4.59 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.400000000000006 111.033 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -117.77 -9.65 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 70.519999999999996 110.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.601 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.6 p30 -83.35 -45.17 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 51.6 m-85 -83.32 5.64 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 74.030000000000001 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.713 ' NZ ' ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -175.32 149.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.040000000000006 109.31 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.713 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . -101.27 22.52 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 71.400000000000006 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -147.45 17.8 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 71.319999999999993 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.62 -173.12 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 75.439999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 12.2 ptt180 -108.8 171.51 7.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 73.140000000000001 110.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 126.07 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.56 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.9 mm? -51.36 151.78 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.25 109.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 t -65.3 168.57 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 71.239999999999995 110.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -63.21 -25.07 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 71.25 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -38.4 15.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 72.209999999999994 109.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.71 -45.63 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 73.439999999999998 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -70.64 -21.06 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 64.319999999999993 110.441 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -60.95 -15.44 31.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 62.299999999999997 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -81.2 -35.79 30.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.5 111.037 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 64' ' ' LEU . 56.3 tp -68.73 -65.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 65.120000000000005 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.81 -19.49 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 75.340000000000003 109.361 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.565 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . . . -64.03 -35.45 80.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.92 -62.56 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 73.239999999999995 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -57.75 93.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 75.409999999999997 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.7 t -82.64 3.09 30.31 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.641 1.686 . . . . 74.329999999999998 109.957 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -118.59 -5.27 10.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 117.933 -1.032 . . . . 52.210000000000001 109.985 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.76 69.88 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 43.219999999999999 111.005 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.62 -22.96 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 0.702 . . . . 74.519999999999996 109.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.92 -1.83 14.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 64.25 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -143.03 156.14 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 74.540000000000006 109.335 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.0 mt -122.52 109.25 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.69 -162.49 27.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.459 1.099 . . . . 64.450000000000003 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.451 HD11 ' CG ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.54 -36.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 0.793 . . . . 75.439999999999998 109.296 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -20.25 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 71.409999999999997 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -95.29 -36.73 11.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 55.43 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 50.6 t80 -77.47 -29.77 52.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 75.310000000000002 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.22 -6.21 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 65.310000000000002 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.29 -55.26 4.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.304 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.475 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 6.6 ptm -48.68 -22.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 111.009 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.624 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 4.1 pt -101.62 -45.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 109.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -58.85 -18.6 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.326 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 64.420000000000002 110.98 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.494 ' CB ' ' CD1' ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.306 -0.627 . . . . 72.230000000000004 109.306 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.789 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 8.9 m-85 -52.66 -19.79 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 75.120000000000005 111.001 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.67 -21.54 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 60.119999999999997 109.321 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -97.31 -48.31 5.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 71.450000000000003 110.033 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.74 -62.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 36' ' ' LEU . 11.3 mt -107.28 -179.54 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 109.237 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.464 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 10.0 mmmm -84.24 120.79 26.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.333 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -59.41 -24.19 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 109.342 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.25 -19.25 39.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 62.8 mm-40 -87.23 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' ALA . 16.3 m -44.46 -31.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.333 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.84 -51.04 9.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 75.230000000000004 110.411 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -61.62 -31.28 71.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.140000000000001 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.53 -20.21 60.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.140000000000001 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.57 -42.6 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.450000000000003 109.286 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.23 -29.38 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.318 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.06 -4.65 68.36 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 72.340000000000003 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -128.1 22.23 6.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.298 -1.001 . . . . 74.340000000000003 108.298 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -84.34 -15.81 45.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.313 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -95.33 112.36 24.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 109.27 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.47 140.06 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.281 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.8 62.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 42.130000000000003 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.9 t -128.43 7.13 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 70.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 19.6 t80 -89.42 138.89 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -136.28 97.18 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 50.1 p-80 -39.97 -56.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 109.582 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -48.31 -44.8 34.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 109.28 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ALA . 8.1 mmmm -62.74 -61.97 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 75.439999999999998 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.7 t80 -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.1 m-85 -55.86 -36.1 67.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 75.329999999999998 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -73.82 -17.33 61.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 75.230000000000004 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.16 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 61.210000000000001 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 36' ' ' LEU . 7.2 p -64.24 -21.05 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 71.209999999999994 108.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 94.63 -5.74 70.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 70.109999999999999 110.984 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 2.3 mt -41.97 -28.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 75.439999999999998 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -64.96 -49.37 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 110.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -89.39 6.61 83.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.438 1.086 . . . . 70.219999999999999 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -72.64 -171.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 75.200000000000003 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.481 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 13.1 m -97.87 152.75 18.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 72.299999999999997 109.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -9.77 47.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 54.240000000000002 110.371 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -75.52 -63.4 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.150000000000006 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 40' ' ' SER . 90.5 t -47.98 -39.73 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -69.08 -32.98 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.4 mmmm -79.35 -21.11 46.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.82 -32.46 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -62.51 -22.46 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 65.430000000000007 111.012 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.03 56.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 109.361 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.667 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -73.01 -49.65 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 103' ' ' PHE . 2.5 mp -63.64 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.24 103.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.549999999999997 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 25.2 mt-30 -90.2 -15.44 31.43 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.594 1.664 . . . . 72.099999999999994 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p-10 -120.33 -22.22 6.61 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.924 -1.036 . . . . 63.539999999999999 109.961 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp 72.2 33.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 109.29 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -24.17 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 121.86 -23.18 7.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 71.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.9 m-85 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 74.409999999999997 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 45.2 mt -123.52 76.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 64.150000000000006 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.69 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.430000000000007 110.324 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 96' ' ' GLY . 64.7 tt0 -57.61 -32.21 66.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 110.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.96 -17.08 62.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 74.519999999999996 110.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -94.42 -21.54 18.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 110.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 87' ' ' LEU . 13.1 mt -59.38 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.315 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -55.89 -19.1 10.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.83 27.59 2.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 67' ' ' PHE . 39.6 t80 -79.05 4.98 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -106.31 -14.44 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.43 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 74.7 mt-30 -83.59 1.99 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.506 ' ND2' ' CG1' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -80.22 -49.87 11.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 109.344 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.789 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 60.5 m-85 -86.64 16.4 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.99 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -177.88 143.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.348 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.17 28.5 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.77 30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 73.200000000000003 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -86.51 156.92 19.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 75.030000000000001 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.06 173.81 5.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 74.420000000000002 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.96 145.47 41.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 53.140000000000001 109.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.667 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 2.8 mm? -64.03 175.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 74.329999999999998 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 31.3 t -87.92 -171.8 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 75.299999999999997 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.54 -33.29 58.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.33 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 65.310000000000002 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 9.1 mt-10 -48.42 -55.72 10.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 73.420000000000002 110.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.4 m -55.48 -38.85 69.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.407 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -56.82 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.310000000000002 109.281 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.53 -16.29 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -87.32 -33.89 19.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 72.120000000000005 111.012 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 35.3 tp -72.48 -64.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -55.72 -19.45 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.519999999999996 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . . . -63.76 -54.12 40.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 109.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.08 -54.88 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 110.994 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 1.9 t70 -51.9 123.21 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 63.409999999999997 109.295 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t -82.99 -54.34 5.14 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.642 1.687 . . . . 72.329999999999998 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.444 ' OD2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -91.03 10.71 25.58 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.911 -1.043 . . . . 75.540000000000006 109.997 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 37.67 51.93 1.92 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 111.043 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.444 ' CB ' ' OD2' ' A' ' 93' ' ' ASP . 7.7 p30 -79.2 -23.08 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 74.109999999999999 109.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 117.27 2.79 17.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 75.010000000000005 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -130.6 144.16 51.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 72.329999999999998 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mt -129.17 102.87 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.5 109.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -72.9 -162.83 6.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 73.540000000000006 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.64 -38.17 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 73.140000000000001 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -29.53 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 75.540000000000006 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.12 -44.35 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 110.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CZ ' HD12 ' A' ' 51' ' ' ILE . 55.4 t80 -63.13 -28.97 70.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 74.109999999999999 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.88 -10.65 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.12 -53.93 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 72.540000000000006 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.453 ' HE1' ' CE1' ' A' ' 86' ' ' PHE . 8.0 ptm -51.5 -18.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.239999999999995 111.018 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.52 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 1.2 pt -107.13 -34.85 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 63.450000000000003 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 47.2 tttt -72.54 -13.72 61.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 74.409999999999997 111.069 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.629 . . . . 75.5 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 6.3 m-85 -54.37 -18.46 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -21.36 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -93.98 -49.38 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 70.219999999999999 110.033 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.89 -63.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 75.040000000000006 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 36' ' ' LEU . 5.8 mt -111.23 -176.39 2.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 4.1 mptt -72.34 147.71 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 75.409999999999997 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -81.95 -29.27 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 71.120000000000005 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.89 24.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 75.450000000000003 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 46.3 mm-40 -67.52 -57.59 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.329999999999998 110.255 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 m -53.54 -34.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 75.219999999999999 109.286 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.2 m -56.91 -48.58 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 72.150000000000006 110.361 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.02 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.53 -25.04 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 74.230000000000004 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' THR . 12.1 mt -76.59 -34.21 58.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 75.519999999999996 109.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.66 -25.37 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 74.430000000000007 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.09 0.41 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.4 p -134.88 22.06 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 72.129999999999995 108.27 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -15.57 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.329999999999998 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -101.29 103.14 14.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 61.549999999999997 109.347 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.62 132.97 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.26 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.32 24.26 76.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.8 p -132.97 8.59 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 72.310000000000002 109.976 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.0 t80 -83.74 136.9 33.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.400000000000006 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -135.03 96.42 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.409999999999997 109.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 26.8 p-80 -42.07 -59.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 65.099999999999994 109.588 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mmmm -44.13 -45.46 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 74.519999999999996 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 17.1 mmtp -64.62 -39.22 93.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 71.019999999999996 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 t80 -59.9 -62.81 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 107' ' ' ILE . 15.7 m-85 -61.06 -36.7 80.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.7 tttm -74.82 -20.39 59.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' LYS . . . -79.96 -51.5 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 75.030000000000001 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 t -76.4 -25.66 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 108.324 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 105.07 -11.53 48.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 70.209999999999994 110.994 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 7' ' ' LEU . 3.3 mt -40.21 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 75.120000000000005 109.314 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.6 t -72.91 124.58 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.976 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.61 7.36 71.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -76.21 -171.57 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.486 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 48.5 m -98.03 151.28 20.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 62.329999999999998 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 86.9 m -64.71 -20.89 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.39 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.16 -54.38 38.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 63.329999999999998 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.9 pt-20 -72.28 -44.43 62.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG1' ' CD1' ' A' ' 107' ' ' ILE . 74.5 t -47.22 -41.68 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 65.010000000000005 109.343 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 41' ' ' THR . 5.0 mtpm? -60.35 -35.75 76.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 70.519999999999996 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.9 mmmm -72.57 -41.52 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.5 72.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 71.239999999999995 109.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 61.7 t80 -64.5 -22.16 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 74.409999999999997 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.12 -16.58 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 63.549999999999997 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.675 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 16.7 mm -69.83 -49.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.329999999999998 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.551 ' CG2' ' ND2' ' A' ' 70' ' ' ASN . 1.6 mp -62.52 -65.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 71.420000000000002 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 82.9 m-20 -40.4 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.341 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.33 -14.69 28.38 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 123.624 1.678 . . . . 74.219999999999999 110.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -120.59 -13.44 8.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.873 -1.06 . . . . 74.329999999999998 109.961 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp 61.27 36.87 17.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 64.430000000000007 109.31 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.428 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.3 p -57.07 -41.89 79.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 141.75 -21.39 2.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 74.140000000000001 111.039 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 36.9 m-85 -147.76 -175.39 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 74.409999999999997 110.981 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 31.0 mt -119.91 77.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.1 mp0 -52.41 158.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 110.238 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -44.73 -36.49 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 71.510000000000005 110.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.7 -39.43 93.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.409999999999997 110.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' GLU . 48.1 mt-10 -69.86 -38.96 76.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.450000000000003 110.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.443 ' CD2' HD13 ' A' ' 98' ' ' ILE . 12.6 mt -49.92 -62.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.269 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -21.35 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.3 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.66 27.46 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 109.298 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 23.0 t80 -71.52 -3.57 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.5 mt -100.12 -21.25 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.26 1.44 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.286 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.551 ' ND2' ' CG2' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -80.43 -48.69 12.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 73.329999999999998 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 73.0 m-85 -85.53 14.56 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 70.030000000000001 110.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -178.04 141.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.530000000000001 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.18 29.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.09 27.18 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -82.47 175.05 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 65.120000000000005 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' CD ' HD13 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -88.98 -172.93 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 110.323 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.03 145.38 47.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 75.430000000000007 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.5 mm? -70.57 163.15 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 74.230000000000004 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.429 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 46.1 t -74.25 166.54 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 62.140000000000001 110.031 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.68 -25.08 64.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 109.35 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.62 -56.59 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 62.549999999999997 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 10.3 mt-10 -41.58 -48.87 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.519999999999996 110.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.5 m -65.11 -36.73 85.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 64.519999999999996 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.4 mmtt -61.99 -41.98 98.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -71.27 -42.83 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CD2' ' HE1' ' A' ' 106' ' ' MET . 6.6 t80 -73.58 -11.6 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 110.984 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.8 tp -84.07 -53.73 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.02 -33.4 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.510000000000005 109.254 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -50.26 -31.11 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 74.540000000000006 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -115.57 -61.64 0.36 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 42.130000000000003 111.039 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 13.7 t0 -55.2 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 73.140000000000001 109.279 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -64.69 -54.63 28.54 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.651 1.691 . . . . 74.25 109.991 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 102' ' ' GLU . 11.9 p30 -71.01 -14.6 62.4 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.928 -1.034 . . . . 75.140000000000001 109.995 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.58 70.2 0.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 43.520000000000003 111.004 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.5 ' N ' ' HD2' ' A' ' 95' ' ' ASP . 7.6 m-20 -92.77 -14.92 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 64.340000000000003 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 1.49 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 111.025 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -146.2 167.85 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.439999999999998 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.443 HD13 ' CD2' ' A' ' 64' ' ' LEU . 1.7 mt -127.73 107.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 72.420000000000002 109.26 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.81 -162.26 33.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 44.130000000000003 111.041 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -80.29 -38.71 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 73.030000000000001 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -17.01 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 93' ' ' ASP . 60.2 mt-10 -99.89 -40.11 7.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.519999999999996 110.239 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.505 ' CE2' HD13 ' A' ' 51' ' ' ILE . 57.7 t80 -75.95 -26.16 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 72.349999999999994 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.09 -11.14 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 71.019999999999996 109.328 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.26 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.519999999999996 109.264 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.57 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 4.2 ptm -50.32 -19.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 64.420000000000002 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.551 HG21 ' CD1' ' A' ' 31' ' ' PHE . 1.2 pt -106.41 -37.47 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 65.420000000000002 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 19.6 tttm -69.38 -13.9 62.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 72.219999999999999 111.013 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.296 -0.631 . . . . 73.109999999999999 109.296 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.68 ' CD1' ' CG2' ' A' ' 50' ' ' ILE . 3.2 m-85 -66.67 -8.56 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -49.18 146.85 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 71.340000000000003 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 1.1 m 84.06 -0.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.34 -61.68 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 109.307 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.120000000000005 109.334 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . 23.4 tttt -79.25 119.41 22.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.150000000000006 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.25 -21.28 63.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 75.239999999999995 109.269 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -16.85 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 62.310000000000002 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 22.3 mm-40 -88.0 -64.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -41.89 -29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 61.329999999999998 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -49.67 -51.03 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 74.140000000000001 110.431 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -60.62 -36.29 78.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 71.120000000000005 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -64.71 -20.86 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 43.350000000000001 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.05 -51.84 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 73.109999999999999 109.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.47 -11.46 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 72.439999999999998 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -63.25 -11.41 39.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -132.78 21.76 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.331 -0.989 . . . . 74.400000000000006 108.331 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -44.08 -46.06 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 122.42 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.285 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.68 121.1 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 60.509999999999998 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 101.73 10.86 39.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 61.030000000000001 110.957 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -133.04 22.56 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 74.439999999999998 110.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 32.1 t80 -78.51 139.2 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -134.18 81.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 75.430000000000007 109.307 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 33.3 p-80 -39.86 -55.3 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 70.430000000000007 109.62 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 35.3 mmtt -47.7 -46.06 29.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.420000000000002 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 16.5 mmtp -61.98 -49.92 74.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 73.519999999999996 109.265 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.7 t80 -47.34 -62.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 75.109999999999999 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.8 m-85 -58.7 -42.77 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 72.219999999999999 111.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.42 -17.4 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -79.28 -62.0 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 63.399999999999999 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -65.47 -15.57 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 71.549999999999997 108.272 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 92.83 -5.3 76.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 75.319999999999993 111.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.430000000000007 109.312 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.3 t -66.83 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 54.32 109.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.1 -7.58 57.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 73.049999999999997 110.944 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -63.15 -178.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 72.239999999999995 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 m -91.71 144.28 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 22.7 m -63.45 -12.49 31.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 110.467 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -71.48 -55.27 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.274 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.3 pt-20 -61.47 -35.41 77.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 74.239999999999995 110.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 107' ' ' ILE . 92.3 t -50.68 -35.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.510000000000005 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' NZ ' ' CG2' ' A' ' 41' ' ' THR . 26.6 mttp -68.9 -31.3 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 74.129999999999995 109.354 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -86.04 -20.62 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 109.285 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.5 27.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 72.109999999999999 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.32 -36.06 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.010000000000005 111.011 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.8 -14.22 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 73.099999999999994 109.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.68 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 31.1 mm -69.0 -62.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 70' ' ' ASN . 1.9 mp -46.52 -59.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 109.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' CE ' ' A' ' 55' ' ' LYS . 25.5 m-20 -40.52 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -88.92 -20.25 24.76 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.623 1.677 . . . . 73.230000000000004 110.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 56' ' ' SER . 2.8 p30 -117.77 -11.29 10.36 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.923 -1.037 . . . . 62.329999999999998 110.018 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 27.2 mmtm 58.38 57.07 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.298 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.442 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -81.58 -25.52 35.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 63.539999999999999 109.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.62 -33.84 3.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 62.530000000000001 111.027 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -130.02 178.03 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.540000000000006 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 22.6 mt -116.94 80.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 75.519999999999996 109.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -45.47 170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 73.430000000000007 110.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.18 -39.23 86.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.87 -19.15 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -89.49 -29.14 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 110.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 87' ' ' LEU . 18.7 mt -54.28 -60.22 3.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 70.25 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.484 ' CB ' ' OG1' ' A' ' 83' ' ' THR . 13.3 ptmt -51.62 -22.3 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 77' ' ' ALA . 16.1 mt -92.93 27.31 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 71.310000000000002 109.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 30.1 t80 -69.59 -5.84 27.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 67.5 mt -99.11 -17.53 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.420000000000002 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -82.68 1.61 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.305 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.43 -49.06 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' ' CZ ' ' A' ' 3' ' ' PHE . 74.7 m-85 -83.16 11.19 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 111.014 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -177.37 146.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.66 73.3 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 162.31 -26.86 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -39.78 144.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 62.409999999999997 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -57.67 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 72.540000000000006 110.263 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' CD2' ' A' ' 66' ' ' LEU . . . -130.63 125.36 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 62.539999999999999 109.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' ALA . 2.1 mm? -40.18 158.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 109.344 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 t -70.94 -172.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 64.340000000000003 110.046 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.42 -31.87 54.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.38 -38.58 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.299999999999997 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 25.2 mt-10 -61.99 -46.5 88.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.319999999999993 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.484 ' OG1' ' CB ' ' A' ' 65' ' ' LYS . 66.0 m -70.13 -22.52 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 65.219999999999999 110.382 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -64.81 -58.96 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 74.140000000000001 109.326 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.55 -17.28 62.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 63.329999999999998 109.309 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HE2' ' A' ' 106' ' ' MET . 0.4 OUTLIER -82.76 -39.99 21.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 111.014 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 61.5 tp -60.04 -64.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 72.319999999999993 109.276 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -40.61 73.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 73.319999999999993 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.74 -47.62 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.14 -65.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 75.120000000000005 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 4.5 t0 -65.73 93.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 73.319999999999993 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.0 t -100.65 5.36 43.79 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 123.664 1.697 . . . . 63.130000000000003 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.58 -7.62 21.66 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.903 -1.046 . . . . 64.140000000000001 109.948 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.34 51.11 55.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 70.019999999999996 110.99 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.77 -15.65 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 75.209999999999994 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' N ' ' OD2' ' A' ' 91' ' ' ASP . . . 89.74 -26.84 8.75 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 72.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 13.9 mtmm -108.35 150.58 27.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 73.349999999999994 109.266 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.444 HD11 ' CD2' ' A' ' 64' ' ' LEU . 4.6 mt -115.88 124.53 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -97.99 -162.52 30.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 111.002 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER -80.96 -44.05 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 75.099999999999994 109.254 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -59.36 -31.51 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.4 -46.94 9.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.3 t80 -59.25 -31.18 68.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 74.439999999999998 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.58 -4.47 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 72.239999999999995 109.259 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.84 -54.4 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 5.4 ptm -52.02 -21.32 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 73.319999999999993 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.491 HG23 ' CG ' ' A' ' 31' ' ' PHE . 15.1 pt -97.2 -43.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 109.284 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -66.96 -16.17 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 110.97 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 75.540000000000006 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.69 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 12.8 m-85 -69.06 -8.11 42.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.039 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.71 -15.19 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.239999999999995 109.283 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.29 -37.78 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 71.319999999999993 110.011 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.65 -62.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.049999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt -112.38 -176.5 2.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.321 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.42 119.66 30.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 75.430000000000007 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.26 -22.24 6.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.77 -35.54 44.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -72.64 -65.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 m -47.7 -36.77 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.530000000000001 109.328 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -54.24 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 110.372 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.32 65.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.120000000000005 109.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.12 -21.93 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.94 -42.34 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.439999999999998 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.04 -15.7 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.35 -4.26 88.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 110.954 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -135.62 25.86 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.002 . . . . 73.519999999999996 108.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -78.15 -15.81 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.37 118.81 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 63.030000000000001 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.66 152.04 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 48.64 22.68 2.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 74.25 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.77 13.72 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 71.120000000000005 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t80 -92.71 141.21 28.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 52.219999999999999 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -134.65 94.95 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 65.120000000000005 109.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 18.9 p-80 -39.92 -62.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 4.9 mmmt -42.63 -55.75 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -49.28 -56.86 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.549999999999997 109.323 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 2.1 t80 -41.12 -63.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 74.019999999999996 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 65.6 m-85 -57.41 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 65.239999999999995 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -77.4 -17.26 58.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 109.338 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.15 -62.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 70.109999999999999 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -63.69 -20.62 65.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.049999999999997 108.326 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.63 5.6 58.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 13.1 mt -62.02 -16.68 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 75.140000000000001 109.378 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -72.6 -10.5 59.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 109.978 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.44 10.14 3.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 65.200000000000003 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 12.5 mmtt -66.53 174.91 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 74.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -79.06 140.65 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.439999999999998 109.988 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -63.3 -12.17 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.71 -53.05 6.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.3 pt-20 -65.41 -39.24 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 64.010000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 107' ' ' ILE . 50.1 t -47.07 -47.94 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 71.430000000000007 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 49.8 mttm -57.89 -31.88 67.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.9 mmmm -80.54 -22.4 40.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 109.261 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -78.31 -40.04 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.25 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -63.16 -20.63 65.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 110.981 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.319999999999993 109.309 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.68 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 11.9 mm -79.93 -56.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 64.319999999999993 109.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -60.87 -56.31 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 62.32 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -40.45 103.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 71.400000000000006 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.9 mt-30 -95.93 -21.2 18.19 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.582 1.658 . . . . 75.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -113.73 -2.98 13.59 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.882 -1.056 . . . . 72.439999999999998 109.973 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt 47.94 43.98 18.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.439999999999998 109.279 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -64.24 -12.0 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 110.014 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 109.17 -26.79 14.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 63.119999999999997 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.4 m-85 -144.32 179.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 74.140000000000001 111.012 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' A' ' 48' ' ' PHE . 96.5 mt -117.32 84.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.099999999999994 109.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 175.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 110.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 83' ' ' THR . 14.8 tt0 -55.18 -53.27 58.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 110.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -52.69 -23.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.5 110.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.25 -25.82 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.319999999999993 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CB ' HG22 ' A' ' 83' ' ' THR . 15.0 mt -59.05 -51.37 70.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 109.324 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -58.35 -17.42 19.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.510000000000005 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.92 27.43 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 109.255 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 49.0 t80 -76.91 1.93 16.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.129999999999995 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.5 mt -118.08 -7.76 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -88.76 1.55 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 75.329999999999998 110.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.607 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.5 p30 -86.14 -45.29 11.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.519999999999996 109.251 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.3 m-85 -82.99 8.59 12.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 111.009 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.52 159.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.42 31.55 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.311 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.88 24.64 0.49 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 43.299999999999997 111.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -88.63 164.84 15.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 0.717 . . . . 62.539999999999999 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.21 163.12 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.33 147.89 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 64.409999999999997 109.294 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 2.7 mm? -71.28 156.61 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.3 t -67.76 -177.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 64.099999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 4.6 m-20 -71.87 -24.41 61.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.18 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 59.8 mt-10 -57.3 -30.12 64.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.467 HG22 ' CB ' ' A' ' 64' ' ' LEU . 29.8 m -87.96 -15.6 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.349999999999994 110.404 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 4.9 mtpm? -77.35 -65.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 75.430000000000007 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -47.3 -42.03 20.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -58.85 -34.25 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 111.007 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.9 tp -68.19 -62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.5 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -19.47 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 70.519999999999996 109.342 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.39 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' CA ' ' HE2' ' A' ' 106' ' ' MET . . . -79.95 -48.78 6.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 110.993 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -66.58 85.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.759 . . . . 74.519999999999996 109.345 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.46 5.39 27.58 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 123.652 1.691 . . . . 73.430000000000007 109.997 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -122.0 0.4 9.66 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.923 -1.037 . . . . 74.299999999999997 109.972 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.05 69.94 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 72.510000000000005 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -99.48 -23.04 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 74.510000000000005 109.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.77 -10.43 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 111.033 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.66 166.76 32.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 74.510000000000005 109.255 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.46 127.49 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 65.310000000000002 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.81 -165.46 35.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 60.130000000000003 110.967 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -81.02 -43.91 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 74.430000000000007 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.67 -24.51 61.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 109.285 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -92.26 -49.72 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.319999999999993 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -57.33 -30.23 64.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 55.399999999999999 111.024 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -85.75 -12.87 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.540000000000006 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.09 -50.56 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 62.329999999999998 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.442 ' HE2' ' CA ' ' A' ' 90' ' ' GLY . 5.3 ptm -56.91 -31.59 65.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 65.409999999999997 111.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 104' ' ' ALA . 13.9 pt -83.42 -54.04 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -54.59 -27.53 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 31.010000000000002 111.019 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.451 ' CB ' HD13 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.28 -0.637 . . . . 70.400000000000006 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.801 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.4 m-85 -53.81 -19.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.87 -22.71 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -104.0 -38.25 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.209999999999994 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.67 -62.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 75.150000000000006 109.297 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 10.4 mt -115.12 176.9 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -78.95 116.53 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.51 -15.81 30.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -26.37 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 109.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.17 -66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 m -45.44 -36.7 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -52.65 -58.94 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.25 -29.69 65.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 62.520000000000003 109.324 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 75.540000000000006 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' CD2' HD21 ' A' ' 68' ' ' LEU . 2.6 mt -82.1 -36.41 27.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.35 -15.62 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.25 -7.07 62.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 70.230000000000004 111.022 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.29 29.86 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.249 -1.019 . . . . 74.040000000000006 108.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.0 -46.75 83.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.92 136.71 48.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.21 157.94 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 61.310000000000002 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.09 21.48 17.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 110.993 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 p -132.45 13.18 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 73.340000000000003 109.994 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 3.4 t80 -91.95 136.44 33.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -134.48 93.02 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 72.129999999999995 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASP . 13.8 p80 -39.87 -60.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 109.567 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 -44.89 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 63.450000000000003 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' ASP . 24.4 mmtp -66.69 -59.23 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 22.7 t80 -38.46 -60.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.638 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 18.2 m-85 -49.65 -39.69 37.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.409999999999997 111.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.1 mmmt -76.35 -22.96 54.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 75.019999999999996 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . . . -81.28 -28.36 34.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 62.520000000000003 109.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 30' ' ' PHE . 3.3 m -95.64 -23.93 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 108.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 99.53 -13.9 60.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.544 1.152 . . . . 63.520000000000003 110.985 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 4.5 mt -44.33 -27.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 74.310000000000002 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -45.63 87.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 71.109999999999999 110.002 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -92.07 8.49 77.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 73.319999999999993 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 20.1 mmtt -77.89 -179.61 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 73.129999999999995 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.8 m -97.16 137.64 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 109.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -26.23 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 65.329999999999998 110.415 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.7 -63.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -61.26 -37.27 82.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 110.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 107' ' ' ILE . 55.8 t -45.2 -43.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 109.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CG ' HD12 ' A' ' 100' ' ' ILE . 25.7 mttm -68.6 -37.2 79.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.2 mmmt -71.79 -20.46 61.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 74.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -85.3 -34.35 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 75.430000000000007 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.5 t80 -63.46 -21.03 66.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 75.230000000000004 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.42 -7.42 58.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 71.420000000000002 109.275 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.678 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 8.2 mm -75.53 -51.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.461 HG13 ' CB ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -65.28 -63.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 109.234 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.62 92.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 63.149999999999999 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -82.7 -24.38 33.67 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 123.549 1.643 . . . . 72.140000000000001 110.255 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 1.6 p30 -70.82 -40.02 72.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.869 -1.062 . . . . 75.239999999999995 110.004 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.1 OUTLIER 73.94 51.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 71.310000000000002 109.294 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -80.88 -30.73 35.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.409999999999997 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.57 -35.31 2.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 110.996 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -136.53 141.78 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 73.319999999999993 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 7.3 mt -72.07 80.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.33 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' GLU . 37.1 mt-10 -52.78 152.81 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 55.409999999999997 110.323 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' OE1' ' CD2' ' A' ' 87' ' ' LEU . 3.4 tp10 -44.1 -26.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.9 mt-10 -62.29 -52.98 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 74.25 110.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -69.03 -26.29 64.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 74.25 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 87' ' ' LEU . 10.4 mt -56.18 -53.48 56.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.287 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -64.71 -12.46 47.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 109.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.94 27.32 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 75.120000000000005 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 70.2 t80 -67.73 -7.51 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 70.109999999999999 111.062 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 16' ' ' LEU . 13.7 mt -104.84 -27.26 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 73.6 mt-30 -78.16 1.76 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 64.450000000000003 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' CB ' HG13 ' A' ' 51' ' ' ILE . 7.9 p-10 -78.97 -49.15 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 95.0 m-85 -85.93 15.16 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 111.001 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 21.2 tttt -177.38 139.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 63.420000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.15 72.41 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 71.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 160.12 -25.79 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 70.239999999999995 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -40.05 143.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 72.150000000000006 109.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.83 167.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.200000000000003 110.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.75 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.325 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -43.92 165.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 74.530000000000001 109.285 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -76.94 -173.26 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 65.5 110.019 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.68 -24.91 58.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -56.6 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 72.349999999999994 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -43.82 -49.14 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.1 m -60.56 -34.31 73.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.120000000000005 110.398 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' ALA . 51.7 mttt -67.55 -41.76 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.05 70.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 73.420000000000002 109.296 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -69.57 -12.72 61.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 73.530000000000001 110.954 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.498 ' CD2' ' OE1' ' A' ' 61' ' ' GLU . 25.8 tp -83.14 -59.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -68.21 -30.81 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.54 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 70.140000000000001 109.325 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.25 -49.84 6.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 55.140000000000001 110.983 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -69.67 115.23 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 74.439999999999998 109.348 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -100.35 -12.56 19.34 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.681 . . . . 74.420000000000002 109.997 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.2 p-10 -100.47 -11.29 20.29 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.875 -1.059 . . . . 75.450000000000003 109.97 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.8 69.34 0.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.947 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -108.6 -21.47 12.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 0.788 . . . . 74.049999999999997 109.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.46 4.08 15.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 63.100000000000001 111.018 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -145.34 152.12 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 74.140000000000001 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 1.4 mt -119.79 119.91 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 109.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.44 -174.57 48.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 74.030000000000001 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -77.8 -36.74 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 74.409999999999997 109.251 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.422 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -71.18 -15.3 62.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 109.271 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -101.95 -35.98 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.5 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 17.8 t80 -80.08 -25.36 40.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.109999999999999 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.04 -11.95 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.51 -53.74 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.568 ' HE1' ' CE1' ' A' ' 86' ' ' PHE . 4.2 ptm -49.15 -20.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 111.006 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.638 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 1.4 pt -105.45 -39.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 74.519999999999996 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 16.0 tttp -66.97 -13.98 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 72.230000000000004 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 75.25 110.998 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 73.450000000000003 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.804 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.4 m-85 -77.15 -4.66 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -15.58 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 45.240000000000002 109.251 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -114.86 -37.45 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 63.439999999999998 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.08 -62.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.266 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.504 HD12 ' CE1' ' A' ' 3' ' ' PHE . 8.7 mt -117.35 -177.34 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -87.42 122.71 31.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 74.329999999999998 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.87 -17.79 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -30.67 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.59 -65.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.219999999999999 110.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -44.13 -38.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 63.32 109.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -50.49 -50.73 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 110.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.51 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 60.409999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.95 -20.58 57.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 73.510000000000005 109.287 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.42 -53.13 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.150000000000006 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.84 -16.4 61.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.040000000000006 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.06 -3.94 88.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 111.061 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -136.44 25.21 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.012 . . . . 75.120000000000005 108.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -81.56 109.58 16.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.321 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.56 140.28 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.200000000000003 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 59.28 18.3 42.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 111.015 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -123.67 11.57 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 75.140000000000001 110.003 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 8.1 t80 -88.42 144.58 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 110.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.53 152.33 50.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 74.349999999999994 109.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 31.7 p-80 -84.19 -62.78 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.62 -45.9 63.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 72.319999999999993 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' ALA . 31.2 mmtp -46.97 -66.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.409999999999997 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t80 -42.4 -62.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -57.9 -23.61 53.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -86.68 -17.47 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.321 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -84.65 -58.15 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 109.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.5 p -66.34 -26.96 67.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.040000000000006 108.309 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.08 15.88 37.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 42.219999999999999 110.979 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.56 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 74.120000000000005 109.299 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -56.48 114.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 109.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 4.57 54.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 53.229999999999997 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -72.32 -171.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 73.239999999999995 109.339 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.2 m -97.38 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 1.5 m -52.68 -20.16 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.129999999999995 110.379 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -65.99 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -62.99 -41.39 99.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.329999999999998 110.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 107' ' ' ILE . 55.3 t -47.95 -33.48 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 73.519999999999996 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' CG ' HD12 ' A' ' 100' ' ' ILE . 18.7 mttp -75.14 -35.55 61.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.332 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 5.9 mmmm -75.41 -21.13 58.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.349999999999994 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.6 -29.94 41.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 41.25 109.319 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 59' ' ' ILE . 24.6 t80 -74.4 -25.5 59.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.25 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -3.61 33.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 74.319999999999993 109.28 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 3' ' ' PHE . 4.7 mt -83.5 -63.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 74.420000000000002 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.3 mp -53.9 -33.69 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 109.32 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 3.3 t0 -70.96 102.06 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 72.409999999999997 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.38 -12.9 12.31 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.667 1.699 . . . . 74.540000000000006 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 7.5 p-10 -105.94 8.26 32.45 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.872 -1.061 . . . . 74.230000000000004 109.981 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.2 mmtp 36.44 53.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 71.239999999999995 109.314 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 p -81.71 -27.09 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 107.93 -5.26 34.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 72.129999999999995 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 15.3 m-85 -159.99 -171.78 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 74.299999999999997 111.003 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 48' ' ' PHE . 23.2 mt -124.85 75.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 72.400000000000006 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.0 mp0 -54.74 160.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 73.5 110.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -44.61 -32.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.293 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.42 -41.08 80.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 110.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' GLU . 22.6 mt-10 -72.64 -29.12 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 75.510000000000005 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 87' ' ' LEU . 13.1 mt -59.99 -49.69 76.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 74.219999999999999 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -12.36 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.299999999999997 109.303 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.07 26.58 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 86' ' ' PHE . 86.2 t80 -71.15 -4.33 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.5 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.4 mt -105.98 -25.99 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 73.120000000000005 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 37.4 mt-30 -78.25 1.54 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 p-10 -80.78 -48.99 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 92.6 m-85 -83.79 11.2 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 72.299999999999997 111.021 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 28.4 tptt -174.99 141.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.28 24.18 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.09 20.24 0.96 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 72.540000000000006 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.78 172.74 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 74.030000000000001 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 77' ' ' ALA . 1.4 ppt_? -94.24 179.61 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 72.319999999999993 110.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 76' ' ' ARG . . . -107.03 150.46 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.239999999999995 109.331 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.52 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.9 mm? -73.97 152.6 40.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.283 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' GLU . 29.2 t -60.82 144.95 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 109.977 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.27 -27.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.349999999999994 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -85.48 -43.4 13.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 109.297 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.487 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 84.1 mt-10 -55.86 -48.38 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.1 m -65.07 -17.97 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.510000000000005 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -42.24 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 71.329999999999998 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.95 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 64.540000000000006 109.307 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' A' ' 67' ' ' PHE . 6.9 t80 -66.1 -17.54 64.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 64' ' ' LEU . 39.7 tp -78.27 -63.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -20.51 62.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 73.150000000000006 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.46 69.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 72.409999999999997 109.316 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.92 -71.56 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.972 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' CG ' ' OD2' ' A' ' 93' ' ' ASP . 5.4 t0 -47.0 121.96 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 74.25 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -100.52 -12.47 19.27 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.579 1.656 . . . . 62.329999999999998 109.995 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 10.9 p-10 -101.52 -13.33 17.94 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.886 -1.054 . . . . 74.450000000000003 110.001 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.4 54.39 27.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 74.219999999999999 111.007 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.53 -23.09 16.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 75.409999999999997 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.96 -7.49 16.98 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.469 1.106 . . . . 73.439999999999998 111.0 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -123.87 152.59 42.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 74.510000000000005 109.287 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.87 107.21 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -165.18 26.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 110.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.26 -38.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 75.409999999999997 109.333 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -69.65 -17.73 63.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 71.099999999999994 109.299 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.17 -39.53 8.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.400000000000006 110.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 42.7 t80 -75.85 -26.15 56.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.77 -10.19 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 74.420000000000002 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.44 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.567 ' HE2' ' CD1' ' A' ' 86' ' ' PHE . 4.5 ptm -49.66 -20.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 75.299999999999997 110.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 44' ' ' VAL . 2.0 pt -104.96 -38.04 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.275 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 45.1 tttt -68.77 -13.77 62.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 70.120000000000005 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 73.319999999999993 110.996 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 70.430000000000007 109.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.9 m-85 -53.15 -19.88 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 111.006 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.38 -21.84 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 51.530000000000001 109.314 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -99.41 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 64.5 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 t -63.88 -62.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 75.25 109.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 3' ' ' PHE . 13.0 mt -106.29 -176.83 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.319999999999993 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 ttmp? -89.12 121.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.319 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.2 p30 -47.88 -27.43 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.519999999999996 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.15 -40.28 46.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 64.510000000000005 109.272 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LYS . 35.3 mm-40 -65.68 -54.54 26.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.299999999999997 110.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ALA . 3.1 m -61.02 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.430000000000007 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -46.54 -52.0 14.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 73.400000000000006 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.85 65.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 74.340000000000003 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.3 -25.09 60.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 70.200000000000003 109.251 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.31 -30.52 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.253 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.73 -15.9 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 71.099999999999994 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.81 -17.19 52.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -126.89 23.82 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.307 -0.998 . . . . 63.5 108.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -73.01 -41.99 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 73.25 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 158.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 64.040000000000006 109.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.4 155.59 27.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.31 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 42.97 27.32 0.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 62.240000000000002 110.971 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -128.87 11.47 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 64.140000000000001 110.012 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 t80 -86.29 122.99 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 111.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.61 91.66 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.327 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 4.2 p80 -40.08 -61.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 64.019999999999996 109.569 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -40.49 -49.47 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -60.44 -54.21 48.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 1.4 t80 -42.62 -63.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.659 ' CD1' ' CG2' ' A' ' 107' ' ' ILE . 12.5 m-85 -56.82 -36.78 70.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.519999999999996 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -71.15 -21.1 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 75.129999999999995 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.31 -61.92 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.239999999999995 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 9.1 p -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.48 -14.07 60.96 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 75.010000000000005 111.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 11.8 mt -40.24 -30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 73.239999999999995 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.9 t -70.09 98.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.399999999999999 109.969 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.68 0.95 36.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 75.109999999999999 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -61.5 -176.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 73.540000000000006 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 137.86 34.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 70.530000000000001 109.998 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -59.13 -15.22 13.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.371 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.86 -56.24 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.26 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.3 pt-20 -63.74 -43.96 94.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 107' ' ' ILE . 61.9 t -41.86 -43.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.299999999999997 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 24.4 mttt -62.35 -46.42 88.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 73.019999999999996 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.6 mtmm -68.08 -20.53 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 109.339 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.99 -17.78 36.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 72.099999999999994 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.546 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 38.5 t80 -85.4 -34.24 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -10.41 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.571 HD12 ' CE2' ' A' ' 3' ' ' PHE . 6.5 mt -68.84 -63.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.430000000000007 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.7 mp -48.85 -58.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 75.510000000000005 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -40.46 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 70.549999999999997 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -88.75 -16.81 31.25 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.662 1.696 . . . . 64.420000000000002 110.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 8.3 p-10 -117.56 -20.82 8.85 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.918 -1.039 . . . . 75.120000000000005 110.003 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm 69.86 31.87 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.308 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 p -50.86 -24.25 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 65.150000000000006 109.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 119.0 -20.95 9.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 74.25 111.041 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 25.2 m-85 -143.64 -179.13 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 73.129999999999995 110.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.541 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 15.3 mt -119.31 77.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.9 mp0 -49.66 159.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.200000000000003 110.342 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLY . 27.9 tt0 -44.51 -44.78 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -58.88 -38.84 79.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 110.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' GLU . 18.6 mt-10 -65.65 -40.48 92.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 98' ' ' ILE . 20.4 mt -52.0 -48.01 64.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -60.23 -22.22 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 70.129999999999995 109.329 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 mt -93.52 27.41 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 71.409999999999997 109.254 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 25' ' ' PHE . 59.9 t80 -74.88 -0.46 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.019999999999996 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.3 mt -105.33 -27.03 11.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -78.75 1.59 22.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 7.7 p-10 -79.35 -48.48 13.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 73.5 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 95.6 m-85 -86.23 14.7 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 73.340000000000003 110.999 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 8.2 ttmt -176.86 139.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 74.040000000000006 109.303 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.88 14.11 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 74.010000000000005 109.3 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.41 28.63 1.93 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 111.025 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -81.09 -174.37 4.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 64.340000000000003 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -105.57 -170.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 110.298 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.230000000000004 109.255 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.4 mm? -69.41 151.59 45.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 73.420000000000002 109.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 147.36 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 109.983 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.58 -33.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -78.69 -52.75 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.349999999999994 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 92.3 mt-10 -46.09 -44.87 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 71.230000000000004 110.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 88.4 m -69.93 -27.21 64.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 72.450000000000003 110.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ALA . 11.2 mtmt -71.49 -44.88 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 109.294 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -68.09 -46.58 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 61.200000000000003 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CE1' ' CE ' ' A' ' 106' ' ' MET . 6.4 t80 -70.15 -13.14 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' THR . 18.9 tp -84.1 -62.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -63.98 -29.78 70.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -61.44 -29.46 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.040000000000006 109.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.5 -68.32 0.66 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 111.042 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 87' ' ' LEU . 6.8 t0 -56.24 105.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 72.540000000000006 109.24 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -74.56 -30.29 61.67 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.635 1.683 . . . . 74.299999999999997 110.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 14.9 p-10 -89.56 -10.92 44.32 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.883 -1.056 . . . . 62.450000000000003 109.956 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 44.19 55.83 5.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 63.109999999999999 110.999 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -93.22 -22.94 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.769 . . . . 73.299999999999997 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 123.64 -13.97 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 65.019999999999996 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -121.33 143.41 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 74.329999999999998 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 64' ' ' LEU . 2.6 mt -119.28 104.72 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.540000000000006 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -74.8 -163.67 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 72.420000000000002 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.7 -46.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 73.329999999999998 109.253 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -56.03 -28.5 57.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.5 109.301 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -91.64 -48.05 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.258 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 47.3 t80 -59.63 -25.48 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.5 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.87 -10.15 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 70.510000000000005 109.292 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.05 -54.01 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 71.530000000000001 109.266 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.558 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.6 ptm -51.88 -18.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.010000000000005 111.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.659 ' CG2' ' CD1' ' A' ' 31' ' ' PHE . 1.3 pt -106.97 -34.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 74.319999999999993 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 51.2 tttt -71.57 -15.31 62.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.200000000000003 109.284 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 65.340000000000003 111.03 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.321 -0.622 . . . . 73.299999999999997 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.788 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.2 m-85 -71.0 -6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.004 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.84 -14.83 37.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 53.409999999999997 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -49.08 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 110.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.94 -62.92 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 64.319999999999993 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 34' ' ' CYS . 2.5 mt -110.24 174.55 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 63.530000000000001 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.24 132.82 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' THR . 52.5 m-20 -53.08 -38.02 62.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 64.319999999999993 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.2 87.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 54.350000000000001 109.284 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.92 -61.47 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 75.530000000000001 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 8.9 m -56.58 -34.79 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.209999999999994 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -50.78 -44.88 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.366 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.04 65.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 72.530000000000001 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.99 -21.19 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 74.109999999999999 109.341 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -30.92 22.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 70.230000000000004 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.95 -28.32 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 64.030000000000001 109.296 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 44.219999999999999 111.002 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -126.12 24.15 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.304 -0.999 . . . . 71.239999999999995 108.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -73.8 -22.74 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 71.510000000000005 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.57 139.87 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.130000000000003 109.315 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.42 139.54 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 109.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.75 18.47 56.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.977 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 p -111.77 -21.14 11.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 73.319999999999993 109.945 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 1.5 t80 -53.62 136.38 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 65.400000000000006 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 12.4 t0 -138.86 94.08 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 62.399999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CE1' ' CB ' ' A' ' 89' ' ' ALA . 29.9 p-80 -43.8 -56.69 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 109.624 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 10.7 ptmt -40.7 -47.72 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.340000000000003 109.313 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 7.2 mmpt? -66.05 -57.3 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 62.310000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 4.5 t80 -39.61 -63.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 74.140000000000001 110.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 9.0 m-85 -51.64 -35.54 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 73.540000000000006 111.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -77.47 -22.23 51.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.15 -61.88 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 65.239999999999995 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 7.5 p -61.85 -20.14 63.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.010000000000005 108.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.04 -10.32 60.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 60.409999999999997 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -40.21 -30.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.239999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.6 p -71.8 114.48 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 64.420000000000002 110.026 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.91 -16.35 60.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -54.8 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 73.349999999999994 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -97.92 138.07 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.998 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -53.38 -19.65 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.25 110.402 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -62.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.2 pt-20 -58.7 -43.18 89.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.030000000000001 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 107' ' ' ILE . 56.1 t -40.47 -50.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 19.2 mttt -61.25 -52.57 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 72.420000000000002 109.299 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -57.67 -20.48 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.33 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.1 -37.91 18.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 74.420000000000002 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 59' ' ' ILE . 9.0 t80 -66.26 -20.9 66.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.15 -5.86 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.696 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 12.0 mm -75.86 -53.68 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 72.299999999999997 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.67 -65.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 109.339 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -40.16 103.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 74.140000000000001 109.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -89.13 -15.12 34.61 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 123.634 1.683 . . . . 74.310000000000002 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.8 p-10 -118.52 -3.03 10.93 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.925 -1.036 . . . . 75.129999999999995 109.994 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 41.86 38.08 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 73.430000000000007 109.302 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.0 p -53.6 -20.11 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 73.409999999999997 109.963 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.99 -25.86 6.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 64.400000000000006 111.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 39.5 m-85 -146.11 164.54 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.140000000000001 111.008 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 48' ' ' PHE . 57.1 mt -98.6 85.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 71.230000000000004 109.301 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -57.49 160.45 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 110.337 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLY . 14.0 tm-20 -47.17 -49.79 21.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 63.200000000000003 110.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -28.64 61.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 72.349999999999994 110.269 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -83.0 -32.51 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.5 110.346 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 10.0 mt -55.34 -50.75 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 73.540000000000006 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -58.46 -17.25 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 73.430000000000007 109.361 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.75 27.46 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.28 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.583 ' CG ' ' CE2' ' A' ' 86' ' ' PHE . 25.2 t80 -74.08 -1.16 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.7 mt -118.02 -7.8 10.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 75.030000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.05 1.56 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.6 p30 -85.15 -45.78 11.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 52.3 m-85 -81.72 4.34 22.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 111.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 4.3 tppp? -175.17 151.45 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 72.349999999999994 109.259 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -101.39 22.83 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.07 18.82 1.21 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 74.5 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -86.5 140.61 29.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 73.310000000000002 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 25' ' ' PHE . 13.8 ptt180 -50.41 -178.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 75.209999999999994 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.99 122.68 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.257 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.73 134.24 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.510000000000005 109.301 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.5 t -60.62 167.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 109.999 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -19.31 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.312 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.16 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.030000000000001 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -46.47 -43.63 16.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.530000000000001 110.258 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 m -66.15 -29.66 70.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.392 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ALA . 45.3 mttt -71.2 -41.67 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -65.89 -48.98 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CE2' ' CG ' ' A' ' 67' ' ' PHE . 8.1 t80 -66.23 -15.67 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 72.140000000000001 111.017 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 62.3 tp -84.08 -56.92 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -72.0 -19.92 61.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.561 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . . . -62.21 -39.92 94.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.340000000000003 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.39 -55.17 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 53.32 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 4.5 t0 -56.78 100.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 75.120000000000005 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -94.1 5.55 51.37 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.666 1.698 . . . . 74.430000000000007 110.04 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.79 4.98 8.79 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.938 -1.03 . . . . 72.109999999999999 109.979 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.19 69.99 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 64.109999999999999 111.013 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -111.77 6.97 20.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 75.349999999999994 109.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 72.85 2.51 57.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 73.299999999999997 111.025 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 58' ' ' PHE . 7.7 mtpt -133.92 157.11 46.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 75.540000000000006 109.341 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.407 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.4 mt -127.91 105.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 74.040000000000006 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.15 -165.54 15.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.986 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.89 -37.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 74.439999999999998 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -23.88 65.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 13.5 mt-10 -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 40.1 t80 -68.98 -30.49 68.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.012 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.26 -7.54 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.120000000000005 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.09 -55.32 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 74.450000000000003 109.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.563 ' HE2' ' CD1' ' A' ' 86' ' ' PHE . 4.7 ptm -48.45 -22.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 74.219999999999999 111.022 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.595 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 4.0 pt -102.17 -40.88 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 29.1 ttpt -64.78 -15.39 61.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 110.997 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.455 ' CB ' HD13 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.301 -0.629 . . . . 73.129999999999995 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.678 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 8.9 m-85 -53.72 -19.0 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.400000000000006 111.013 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.73 -20.81 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.340000000000003 109.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.65 -49.7 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 70.530000000000001 109.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.21 -62.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 74.010000000000005 109.299 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 4.7 mt -99.64 -176.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 25.4 tptt -90.06 121.29 32.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 74.109999999999999 109.351 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -46.71 -38.59 10.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 75.420000000000002 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.42 81.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 54.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 23.9 mt-10 -65.73 -58.19 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 74.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.19 -37.63 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.2 m -50.72 -53.79 28.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 62.420000000000002 110.386 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -27.82 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 75.299999999999997 109.304 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . . . -72.65 -29.75 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.349999999999994 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.58 -46.24 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 73.140000000000001 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -70.76 -32.14 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.68 -12.77 35.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.83 31.03 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 73.329999999999998 108.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -65.25 -16.05 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 72.510000000000005 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 170.67 8.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.88 137.64 41.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 61.409999999999997 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.8 -8.88 64.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 63.32 110.993 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -102.85 17.67 23.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.329999999999998 110.036 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.5 t80 -92.59 128.74 38.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.409999999999997 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.467 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.7 t0 -136.17 95.09 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.501 ' NE2' ' CB ' ' A' ' 89' ' ' ALA . 46.3 p-80 -40.05 -58.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 109.652 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -40.53 -51.48 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 24.6 mmtp -61.98 -60.56 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.099999999999994 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -39.22 -63.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 111.02 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 45.4 m-85 -58.76 -26.9 64.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 75.200000000000003 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.1 mttt -79.76 -21.4 44.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.150000000000006 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.33 -61.9 1.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 62.32 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -62.62 -19.39 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 63.439999999999998 108.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 97.37 -6.88 63.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.137 . . . . 74.049999999999997 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 HD12 ' CE1' ' A' ' 3' ' ' PHE . 9.7 mt -40.49 -29.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 55.149999999999999 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 35' ' ' GLY . 2.5 p -66.35 -52.57 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 63.140000000000001 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.8 2.42 88.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 63.210000000000001 111.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -69.01 177.72 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -87.91 137.91 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.25 109.976 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -56.69 -17.07 7.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 63.520000000000003 110.394 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -68.97 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.7 pt-20 -54.46 -39.92 67.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 110.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 104' ' ' ALA . 79.2 t -42.9 -49.74 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.319999999999993 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -55.94 -41.7 75.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 75.25 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.0 mtpt -68.11 -30.63 69.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 73.519999999999996 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.44 74.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 48' ' ' PHE . 2.8 t80 -55.79 -22.84 26.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.57 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 73.439999999999998 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.678 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.2 mm -51.64 -55.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.299999999999997 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -66.59 -70.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.109999999999999 109.309 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.84 103.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -77.26 -12.98 60.01 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.634 1.683 . . . . 73.219999999999999 110.315 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.498 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 2.5 p30 -119.14 -34.13 3.95 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.891 -1.052 . . . . 74.310000000000002 109.985 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CD ' ' C ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 67.13 56.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 74.319999999999993 109.32 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -71.62 -22.9 61.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 74.549999999999997 110.008 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.25 -26.65 3.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 60.509999999999998 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.78 158.08 44.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 74.239999999999995 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -95.86 82.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 72.549999999999997 109.276 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 156.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.25 110.298 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -48.89 -25.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.52 -39.79 81.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 110.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 66' ' ' LEU . 5.4 mt-10 -73.44 -39.13 65.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 12.2 mt -48.96 -46.37 43.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 74.200000000000003 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.9 -27.34 67.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 75.349999999999994 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 11.5 mt -92.89 26.73 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -70.68 -4.9 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.349999999999994 110.964 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -103.8 -21.06 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 75.430000000000007 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -79.44 1.69 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 110.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 51' ' ' ILE . 10.1 p-10 -81.33 -46.41 14.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' CZ ' ' A' ' 30' ' ' PHE . 21.7 m-85 -83.0 8.92 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 70.25 110.983 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 10.2 tttm -177.78 143.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 70.439999999999998 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.77 31.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.306 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.94 27.46 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.99 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -83.93 172.24 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 65.310000000000002 109.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -76.75 -172.81 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 74.299999999999997 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.41 122.52 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm? -48.38 166.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -100.53 173.69 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.219999999999999 109.979 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -58.3 -18.28 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.328 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.13 -66.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -46.81 -54.53 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 110.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -56.15 -33.53 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 110.403 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 10.8 mtpt -68.95 -41.22 78.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.25 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.25 -35.25 77.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.495 ' CD2' ' HE3' ' A' ' 106' ' ' MET . 7.1 t80 -84.47 -17.99 37.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.999 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 58.3 tp -81.54 -49.99 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 73.150000000000006 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -21.52 63.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . . . -60.58 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 75.200000000000003 109.261 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 -64.43 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 55.299999999999997 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 3.8 t0 -45.01 121.49 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 64.510000000000005 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.43 -54.32 3.43 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.629 1.681 . . . . 73.420000000000002 110.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.07 10.76 11.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.903 -1.046 . . . . 63.350000000000001 110.023 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 38.15 69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 34.299999999999997 111.024 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -103.79 15.38 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 70.450000000000003 109.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.23 13.32 76.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 55.509999999999998 111.048 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -143.93 151.87 40.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.129999999999995 109.264 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.07 114.93 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.519999999999996 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.83 176.07 54.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 111.012 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -38.27 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 75.019999999999996 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -22.5 66.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.74 -29.6 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 72.319999999999993 110.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -80.07 -26.78 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' A' ' 44' ' ' VAL . . . -85.89 -15.1 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 72.420000000000002 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.52 -51.07 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 65.409999999999997 109.315 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.495 ' HE3' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.51 -18.18 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 44' ' ' VAL . 27.3 pt -101.03 -45.51 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.5 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.41 60.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 63.039999999999999 111.014 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.319 -0.623 . . . . 54.140000000000001 109.319 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.59 ' CD1' ' CG2' ' A' ' 50' ' ' ILE . 8.0 m-85 -58.73 -15.07 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.430000000000007 110.985 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.75 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.325 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -94.12 -43.93 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.329999999999998 109.971 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.62 -62.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 70.310000000000002 109.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.27 -176.56 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 123.92 33.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.316 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -62.47 -15.87 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.239999999999995 109.299 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.11 -19.16 32.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 74.310000000000002 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' THR . 46.5 mt-10 -87.79 -65.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 74.349999999999994 110.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ALA . 32.9 m -44.34 -28.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -45.6 -51.03 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 73.510000000000005 110.379 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.86 -31.45 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 64.340000000000003 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.38 -24.18 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.58 -33.69 23.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.77 -17.46 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 74.400000000000006 109.268 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -70.39 -5.04 53.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 73.019999999999996 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 p -137.67 22.26 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 74.109999999999999 108.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -56.97 -20.18 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 72.519999999999996 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 147.88 22.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.5 155.29 31.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.357 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.83 23.14 2.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 62.140000000000001 111.039 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.2 19.42 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.340000000000003 110.031 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 16.6 t80 -85.27 136.37 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 110.991 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 70.8 m-20 -126.76 111.65 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 65.519999999999996 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.619 ' CD2' ' N ' ' A' ' 28' ' ' LYS . 2.9 p-80 -66.39 -58.15 5.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.581 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.619 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 13.7 ptmt -44.12 -48.75 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 73.519999999999996 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 1.5 mptt -61.47 -51.83 67.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 1.6 t80 -44.68 -64.2 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.983 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.7 m-85 -47.84 -28.34 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 111.012 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLY . 4.3 tmtt? -75.16 -61.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 63.43 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.11 23.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.209999999999994 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' CG1' ' A' ' 12' ' ' VAL . 1.7 m -87.92 -24.79 23.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 73.340000000000003 108.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . 98.21 -19.28 55.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 63.109999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt -45.56 -56.0 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 75.409999999999997 109.249 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t -58.23 102.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 110.048 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.67 -26.71 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 51.539999999999999 110.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.52 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 73.329999999999998 109.298 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -89.02 138.18 31.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 64.439999999999998 109.994 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -58.16 -16.02 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.48 -60.69 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.318 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.8 pt-20 -58.7 -39.31 80.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 110.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 107' ' ' ILE . 36.6 t -40.33 -48.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 75.409999999999997 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 43.5 mttt -60.03 -47.3 86.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.340000000000003 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.3 mtpt -64.0 -20.61 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 109.326 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.92 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 109.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 59' ' ' ILE . 28.7 t80 -67.59 -20.71 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.543 ' CB ' ' NZ ' ' A' ' 55' ' ' LYS . . . -85.78 -3.57 58.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 75.319999999999993 109.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.59 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 11.4 mm -83.37 -54.28 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 75.219999999999999 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mt -65.36 -45.51 93.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 75.409999999999997 109.356 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' CZ ' ' A' ' 48' ' ' PHE . 2.7 m-20 -66.35 103.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.430000000000007 109.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -97.23 -12.84 22.49 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.657 1.694 . . . . 71.420000000000002 110.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 p30 -104.61 -10.65 17.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.901 -1.047 . . . . 72.319999999999993 109.992 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' NZ ' ' CB ' ' A' ' 49' ' ' ALA . 3.8 mmmt 40.03 52.66 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.340000000000003 109.322 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -31.06 51.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 71.409999999999997 110.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.09 -55.65 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 110.949 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -126.73 138.84 53.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 73.099999999999994 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 48' ' ' PHE . 86.8 mt -75.74 91.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -60.59 161.39 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.120000000000005 110.281 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.35 -25.99 11.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 110.279 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -73.88 -31.28 63.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -88.58 -12.93 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 72.109999999999999 110.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 98' ' ' ILE . 8.8 mt -66.46 -48.22 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -14.59 33.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.71 27.45 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.305 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 87.6 t80 -76.88 1.82 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 72.310000000000002 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.611 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 33.6 mt -117.98 -7.82 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 74.230000000000004 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 80.6 mt-30 -88.96 1.68 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.299999999999997 110.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.7 p30 -84.81 -45.63 12.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 73.25 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 70' ' ' ASN . 52.3 m-85 -81.57 5.57 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 74.5 111.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 2.3 ttmt 179.51 158.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.57 25.49 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.92 13.83 2.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 53.140000000000001 111.011 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -87.49 141.99 28.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 64.010000000000005 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.86 -173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 73.019999999999996 110.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.28 126.68 41.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.8 mm? -46.94 145.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 81' ' ' ALA . 26.8 t -65.78 149.84 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 110.034 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.67 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 75.230000000000004 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -81.68 -56.26 4.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.69 -26.05 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -87.22 -28.97 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 75.420000000000002 110.41 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' ALA . 25.1 mttp -57.95 -49.32 77.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -70.13 -16.3 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 73.409999999999997 109.29 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -84.95 -19.98 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.239999999999995 111.005 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 64' ' ' LEU . 57.4 tp -83.75 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.329999999999998 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -57.68 -18.94 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -63.94 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 75.310000000000002 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -87.11 -49.0 4.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 73.010000000000005 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' LEU . 24.8 t0 -60.21 84.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -72.62 -54.65 8.51 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.657 1.694 . . . . 63.32 110.026 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 6.9 p30 -60.47 -21.24 62.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.923 -1.037 . . . . 65.209999999999994 109.996 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 48.12 70.25 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 60.130000000000003 110.99 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.3 -17.74 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 73.329999999999998 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.441 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 121.73 5.36 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 111.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 5.8 mtmm -150.82 -179.47 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 71.099999999999994 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.473 HD13 ' CD2' ' A' ' 64' ' ' LEU . 2.2 mt -135.3 107.07 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.150000000000006 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.22 -162.42 35.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.44 -51.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 73.200000000000003 109.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.1 -27.88 15.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.305 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 32.0 mt-10 -88.31 -45.28 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 110.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' MET . 46.5 t80 -59.22 -29.64 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.200000000000003 110.958 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . . . -86.63 -7.19 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.310000000000002 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.17 -54.63 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.512 ' HE3' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.08 -22.96 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 71.319999999999993 111.044 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.507 HG22 ' CG ' ' A' ' 31' ' ' PHE . 20.2 pt -96.55 -43.65 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.51 -18.0 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 70.109999999999999 111.013 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.459 ' CB ' ' CD1' ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 73.239999999999995 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.662 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 7.5 m-85 -52.84 -19.61 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 110.957 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.16 -21.26 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.109999999999999 109.287 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -98.62 -45.22 6.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 71.530000000000001 109.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.66 -62.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.261 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 3' ' ' PHE . 2.4 mt -105.87 -177.23 3.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 75.230000000000004 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -85.92 128.92 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 75.109999999999999 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.14 -33.01 62.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.099999999999994 109.343 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.05 -23.55 55.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.1 mt-10 -79.04 -51.17 9.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 71.209999999999994 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' CG1' ' SG ' ' A' ' 34' ' ' CYS . 12.2 m -68.31 -33.09 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 72.340000000000003 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -54.58 -50.6 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 110.38 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -19.63 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.030000000000001 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -86.72 -28.91 22.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.06 -34.05 61.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 64.340000000000003 109.333 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.35 -20.19 32.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 109.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -8.2 48.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.011 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 3.9 m -136.56 27.91 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.281 -1.007 . . . . 72.349999999999994 108.281 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -55.75 -45.21 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 74.109999999999999 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.02 -174.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 65.430000000000007 109.272 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.93 133.48 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 63.240000000000002 109.254 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.13 -14.67 52.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 64.540000000000006 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -6.93 57.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 72.129999999999995 110.039 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 78' ' ' LEU . 56.2 t80 -52.37 125.05 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 65.319999999999993 111.001 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.432 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -129.71 82.15 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.439999999999998 109.338 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 86' ' ' PHE . 11.0 p-80 -40.04 -62.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.540000000000006 109.563 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 10.7 pttp -40.79 -52.54 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 28.4 mmtp -56.16 -45.34 79.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 t80 -53.23 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 74.200000000000003 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 85.1 m-85 -58.53 -29.03 66.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 71.5 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.12 -19.22 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 75.030000000000001 109.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.13 -57.8 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 75.140000000000001 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' CG1' ' A' ' 12' ' ' VAL . 7.8 t -65.32 -26.9 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 73.230000000000004 108.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 103.99 -5.57 46.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 71.239999999999995 111.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 6.8 mt -45.57 -28.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.140000000000001 109.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 p -66.0 -43.44 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 71.200000000000003 109.984 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -93.38 6.58 75.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 54.049999999999997 110.981 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 19.4 mmtt -73.38 -178.82 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 72.430000000000007 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -97.52 137.86 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.109999999999999 109.979 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.481 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 18.4 m -53.57 -19.52 3.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 63.200000000000003 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -63.27 -60.07 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 70.409999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 47' ' ' ALA . 5.9 pt-20 -61.99 -38.28 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 70.400000000000006 110.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 107' ' ' ILE . 70.9 t -42.66 -48.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' NZ ' ' CG2' ' A' ' 41' ' ' THR . 22.5 mttp -58.03 -46.38 85.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -67.82 -20.72 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.25 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.95 -33.02 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 53.109999999999999 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' HG13 ' A' ' 59' ' ' ILE . 39.5 t80 -62.79 -21.87 66.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 75.239999999999995 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -18.16 35.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 73.049999999999997 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.662 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.3 mm -64.92 -48.83 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.340000000000003 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -76.6 -66.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 71.340000000000003 109.268 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -40.01 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 63.340000000000003 109.271 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.4 mt-30 -94.26 -50.9 5.05 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.62 1.676 . . . . 74.530000000000001 110.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 13.2 p30 -62.47 -28.47 69.85 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.888 -1.054 . . . . 75.030000000000001 109.994 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 10.3 mmmm 69.28 23.92 6.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.304 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.41 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 64.049999999999997 109.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.24 -23.55 35.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 74.049999999999997 111.012 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.61 120.77 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 63.409999999999997 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.4 mt -70.34 92.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' GLU . 11.2 mt-10 -65.01 160.58 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 63.32 110.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.09 -33.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.8 -39.1 84.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 110.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' GLU . 9.6 mt-10 -68.2 -40.11 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 71.439999999999998 110.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 98' ' ' ILE . 35.2 mt -54.58 -48.28 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 73.420000000000002 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 13.6 ttmt -60.67 -16.04 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.8 27.17 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 109.27 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 33.5 t80 -71.33 -4.13 24.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 70.530000000000001 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -103.95 -21.96 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 55.0 mt-30 -78.61 2.01 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 60.439999999999998 110.292 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.4 p-10 -81.3 -48.16 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 75.329999999999998 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 30' ' ' PHE . 22.3 m-85 -80.71 6.53 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 18.9 tptt -175.36 143.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.3 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.9 23.03 3.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.73 19.42 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 63.25 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.82 167.45 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 72.329999999999998 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.7 ptt180 -79.84 -170.65 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 73.409999999999997 110.317 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.85 51.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.230000000000004 109.335 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 25' ' ' PHE . 2.1 mm? -55.97 163.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.5 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 33.2 t -76.91 158.74 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -53.5 -23.22 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.27 -56.79 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 64.409999999999997 109.33 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 5.7 mt-10 -43.76 -48.3 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.519999999999996 110.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 59.7 m -61.03 -33.6 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 75.040000000000006 110.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.65 -41.84 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.450000000000003 109.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.15 -32.44 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 71.239999999999995 109.269 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.652 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 5.6 t80 -89.15 -13.6 38.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.340000000000003 111.058 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 83' ' ' THR . 25.8 tp -84.21 -45.1 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 74.450000000000003 109.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.85 -33.76 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 71.200000000000003 109.246 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -47.7 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 70.530000000000001 109.316 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.92 -55.82 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.089 . . . . 64.329999999999998 110.998 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.1 t0 -70.94 113.81 8.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 70.209999999999994 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -100.63 -31.88 11.02 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.010000000000005 109.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 13.3 p-10 -75.16 -12.59 60.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.891 -1.052 . . . . 62.340000000000003 109.976 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 49.36 58.9 7.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 110.994 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -98.78 -23.11 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 74.129999999999995 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.58 -5.97 18.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 72.349999999999994 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -134.41 165.03 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 74.120000000000005 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.464 ' CD1' HD12 ' A' ' 64' ' ' LEU . 2.3 mt -128.98 108.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.69 -168.91 16.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 71.120000000000005 110.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.56 -51.95 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.120000000000005 109.339 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -50.43 -28.39 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.318 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.16 -44.33 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.305 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 28.2 t80 -58.84 -31.51 68.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.7 -5.64 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 73.519999999999996 109.253 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.67 -54.37 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 63.350000000000001 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.568 ' HE1' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.29 -21.96 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 64.310000000000002 111.032 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.514 HG21 ' CG ' ' A' ' 31' ' ' PHE . 17.5 pt -96.96 -43.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.329999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -63.33 -20.62 65.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 63.229999999999997 110.979 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.312 -0.625 . . . . 72.019999999999996 109.312 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.779 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 10.3 m-85 -59.27 -14.84 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 111.024 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.56 -22.37 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.540000000000006 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 m -101.18 -39.06 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.72 -62.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 71.510000000000005 109.328 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 7.7 mt -110.39 178.22 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.253 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 tppp? -79.87 119.27 22.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -49.51 -29.04 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.200000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.28 55.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 74.010000000000005 109.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mm-40 -70.58 -60.59 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 74.400000000000006 110.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 3.3 m -53.8 -39.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.4 -52.44 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.520000000000003 110.407 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -25.17 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 74.150000000000006 109.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -76.43 -22.08 55.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 55.420000000000002 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.16 -42.0 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.262 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.92 -15.72 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 109.285 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.8 -23.81 63.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.555 ' SG ' ' CD1' ' A' ' 25' ' ' PHE . 8.9 t -107.98 -21.48 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.237 -1.023 . . . . 65.200000000000003 108.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -40.39 -29.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 61.310000000000002 109.263 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -69.65 95.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.71 139.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 72.230000000000004 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.28 20.71 58.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 41.530000000000001 110.999 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.2 t -130.22 13.07 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 65.409999999999997 109.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 4.5 t80 -63.17 114.15 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.340000000000003 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.459 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.7 m-20 -113.59 74.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.322 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HG3' ' A' ' 28' ' ' LYS . 18.8 p80 -40.12 -50.92 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 75.25 109.627 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mttm -51.45 -48.68 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 4.6 mmpt? -60.17 -58.44 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 70.129999999999995 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 71' ' ' PHE . 1.1 t80 -38.35 -63.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 110.976 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.644 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.9 m-85 -54.5 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 73.219999999999999 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -71.11 -21.91 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.109999999999999 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.56 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 73.150000000000006 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 36' ' ' LEU . 9.1 p -66.5 -20.39 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 108.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.58 -14.7 59.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 111.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 7.7 mt -40.35 -30.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 75.019999999999996 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 35' ' ' GLY . 7.7 t -68.53 94.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.99 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.7 31.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 18.4 mmtt -55.19 -178.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 73.030000000000001 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.17 141.23 38.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.436 HG21 ' CE ' ' A' ' 45' ' ' LYS . 1.8 m -61.04 -19.46 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 110.383 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -73.32 -60.66 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.329999999999998 109.289 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.6 pt-20 -59.33 -43.76 92.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 74.310000000000002 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 107' ' ' ILE . 71.1 t -44.47 -40.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 20.9 mttm -68.73 -41.38 79.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 73.530000000000001 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.8 mmmt -66.19 -21.38 66.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.1 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 64.109999999999999 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 5.6 t80 -66.19 -20.76 66.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 72.239999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.09 -6.89 58.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 72.109999999999999 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.672 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 8.5 mm -74.04 -52.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 109.262 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.6 -52.61 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 74.319999999999993 109.325 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -40.0 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 71.019999999999996 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 24.3 mt-30 -94.02 -25.92 17.01 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.64 1.686 . . . . 75.019999999999996 110.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 3.0 p30 -112.08 -9.39 13.97 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.889 -1.053 . . . . 75.349999999999994 109.996 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 54.8 54.94 8.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.309 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -78.23 -5.58 52.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.109999999999999 110.004 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 97.2 -18.94 56.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 64.219999999999999 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 9.0 m-85 -142.97 -175.87 4.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 71.239999999999995 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.31 76.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.019999999999996 109.281 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.5 mp0 -54.57 156.54 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 64.129999999999995 110.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -46.6 -34.9 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 110.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 1.2 mp0 -63.17 -37.89 89.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLU . 21.7 mt-10 -83.37 -26.47 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.140000000000001 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 11.6 mt -52.71 -51.77 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 6.3 ptpp? -57.03 -18.31 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.2 mt -92.58 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 72.109999999999999 109.338 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 76.6 t80 -80.57 6.57 12.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 75.25 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 15.5 mt -118.06 -7.92 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.510000000000005 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 41.1 mt-30 -92.13 1.25 57.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 110.262 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.6 p30 -83.63 -45.33 13.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 65.109999999999999 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.9 m-85 -82.67 5.56 20.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.519999999999996 111.031 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' GLN . 16.2 tptp -175.12 148.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.48 65.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 74.439999999999998 109.264 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 175.73 -33.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 72.349999999999994 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -39.47 135.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 73.299999999999997 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 20' ' ' LYS . 13.8 ptt85 -56.93 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 65' ' ' LYS . . . -120.47 137.15 54.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 73.209999999999994 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 25' ' ' PHE . 2.8 mm? -45.1 148.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 72.329999999999998 109.277 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.439 ' CB ' ' OE2' ' A' ' 82' ' ' GLU . 35.3 t -61.97 -173.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 75.450000000000003 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.42 ' N ' ' OG ' ' A' ' 79' ' ' SER . 7.7 p-10 -73.0 -28.68 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 65.010000000000005 109.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 74.530000000000001 109.28 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 29.8 mt-10 -50.91 -51.42 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 74.329999999999998 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -59.8 -27.5 66.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 71.209999999999994 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -73.85 -41.95 61.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.344 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.9 96.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.622 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -74.03 -13.63 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 33.7 tp -83.2 -64.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 72.239999999999995 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -56.49 -39.79 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.36 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 60.310000000000002 109.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -76.36 -63.15 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 75.349999999999994 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 4.4 t0 -49.31 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 73.420000000000002 109.269 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -89.83 2.73 54.6 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.63 1.681 . . . . 73.030000000000001 109.994 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -123.67 -1.06 8.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.884 -1.055 . . . . 61.140000000000001 109.991 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.37 70.09 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 53.240000000000002 110.973 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.83 -22.99 13.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 72.400000000000006 109.251 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 116.03 8.55 13.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 21.1 mtmt -150.51 171.48 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 74.049999999999997 109.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.416 HD12 ' CD2' ' A' ' 64' ' ' LEU . 2.3 mt -133.41 104.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.81 -165.36 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.11 -38.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 73.040000000000006 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -18.71 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 91' ' ' ASP . 30.1 mt-10 -99.13 -41.6 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 51.9 t80 -72.08 -27.63 62.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.409999999999997 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.85 -11.03 48.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.4 -54.02 6.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 61.009999999999998 109.309 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.568 ' HE3' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -50.67 -19.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 64.200000000000003 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.644 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 1.3 pt -106.48 -36.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 71.120000000000005 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 44.3 tttt -71.28 -13.41 61.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 75.239999999999995 109.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.519 1.137 . . . . 65.430000000000007 110.98 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.316 -0.624 . . . . 74.530000000000001 109.316 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.753 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.6 m-85 -53.2 -19.67 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.150000000000006 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -95.76 -41.49 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.63 -62.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 63.240000000000002 109.305 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.82 -178.85 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 72.150000000000006 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -89.57 127.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -52.26 -26.23 11.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.61 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 109.332 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LYS . 34.9 mt-10 -71.99 -56.91 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.209999999999994 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -59.76 -36.14 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 71.219999999999999 109.276 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -53.56 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 110.41 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.4 -19.3 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 64.040000000000006 109.348 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -86.63 -24.86 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 73.200000000000003 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -90.68 -19.4 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.33 -12.79 81.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -135.45 29.09 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.331 -0.989 . . . . 61.539999999999999 108.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -64.59 -46.44 82.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 65.439999999999998 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 152.4 44.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.540000000000006 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.22 151.98 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.39 50.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 65.109999999999999 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 p -133.06 17.02 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 0.8 . . . . 62.509999999999998 109.968 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 9.1 t80 -92.54 142.95 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 74.140000000000001 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -135.49 89.44 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.276 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 24.6 p80 -39.8 -57.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.631 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 7.5 pttt -44.77 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 70.109999999999999 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -47.0 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.239999999999995 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CE2' HD22 ' A' ' 68' ' ' LEU . 9.6 t80 -38.36 -63.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 75.219999999999999 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 57.4 m-85 -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' LYS . 8.3 ttpt -73.52 -27.01 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.39 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -64.43 -19.51 65.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 60.409999999999997 108.313 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 96.23 -7.96 66.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 111.011 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.3 mt -40.05 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 75.510000000000005 109.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' GLY . 59.1 m -69.29 -52.9 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -81.58 -0.03 88.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.1 mmtt -72.54 178.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 74.200000000000003 109.31 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 m -90.27 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 74.519999999999996 109.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -54.89 -18.51 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 71.140000000000001 110.381 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -67.06 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.209999999999994 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -57.27 -38.81 74.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 110.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 107' ' ' ILE . 52.0 t -40.9 -45.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 43.1 mttt -59.96 -47.58 85.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' GLU . 3.9 mtmt -67.66 -20.42 65.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.18 -39.35 33.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 71.400000000000006 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.7 t80 -66.78 -25.56 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.319999999999993 111.06 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.75 -4.68 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 72.310000000000002 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.664 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 9.9 mm -79.1 -47.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.129999999999995 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.478 HG13 ' CB ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -71.14 -51.29 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 73.439999999999998 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.37 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.332 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -86.98 -59.32 2.29 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.642 1.686 . . . . 75.420000000000002 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.481 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -74.49 1.94 10.73 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.923 -1.036 . . . . 55.020000000000003 110.023 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp 51.23 57.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.420000000000002 109.258 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -91.17 -9.01 46.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 110.015 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.13 -9.3 64.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 72.239999999999995 111.047 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.73 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 73.209999999999994 110.964 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.451 HG13 ' CE2' ' A' ' 48' ' ' PHE . 65.8 mt -130.37 92.74 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.284 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.24 168.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.219999999999999 110.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.03 -40.53 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.51 -37.27 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 53.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 54' ' ' ASP . 33.1 mt-10 -74.54 -28.44 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 71.519999999999996 110.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 98' ' ' ILE . 10.5 mt -54.09 -49.09 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.247 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -57.64 -17.79 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.264 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.8 mt -92.57 27.94 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.285 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 50.3 t80 -73.0 -1.13 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.507 HD22 ' CE2' ' A' ' 30' ' ' PHE . 13.7 mt -115.96 -8.46 11.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 73.120000000000005 109.249 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -84.95 -1.52 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 110.288 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.617 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 10.6 p30 -85.48 -41.99 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 74.530000000000001 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.753 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 83.1 m-85 -84.55 6.24 24.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.519999999999996 110.989 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -175.16 150.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.150000000000006 109.282 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.81 25.88 6.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 72.209999999999994 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.0 25.89 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 63.310000000000002 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.77 -174.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 72.109999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.28 160.78 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 110.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.3 144.91 31.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 64.219999999999999 109.306 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 2.2 mm? -73.64 148.21 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 75.519999999999996 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t -64.13 178.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 72.299999999999997 110.023 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 21.5 m-20 -69.73 -35.14 74.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.8 60.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 75.140000000000001 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.57 -48.28 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.8 m -69.63 -18.55 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.140000000000001 110.414 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -67.71 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 73.430000000000007 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -66.96 -22.2 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 64.519999999999996 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.67 -18.26 60.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 111.024 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 38.5 tp -80.8 -64.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 109.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -63.99 -18.87 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -53.45 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 73.430000000000007 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -100.75 -41.22 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 41.32 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 20.6 t0 -62.72 80.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 74.310000000000002 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -67.82 -54.62 17.64 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.593 1.663 . . . . 73.430000000000007 109.996 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -67.18 -13.9 62.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.934 -1.031 . . . . 72.219999999999999 109.985 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.49 70.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.09 . . . . 65.400000000000006 111.014 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -13.4 23.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.010000000000005 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' LYS . . . 119.91 7.94 9.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 53.299999999999997 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 51.9 mtmt -152.91 178.66 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 71.120000000000005 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 64' ' ' LEU . 2.3 mt -136.26 105.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.27 -162.46 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 111.049 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -78.24 -49.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 70.430000000000007 109.29 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -54.15 -28.28 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.318 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 37.2 mt-10 -88.86 -45.96 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.200000000000003 110.232 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 43.6 t80 -59.41 -29.14 67.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . . . -86.82 -6.94 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.349999999999994 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' GLY . . . -81.74 -54.85 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 4.0 ptm -51.36 -26.27 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.5 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.498 HG22 ' CG ' ' A' ' 31' ' ' PHE . 18.5 pt -92.98 -43.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 74.409999999999997 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.24 -16.14 63.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 72.409999999999997 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 75.5 111.023 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.278 -0.638 . . . . 75.25 109.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.739 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 9.1 m-85 -70.69 -5.59 30.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 74.200000000000003 110.952 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.07 -18.01 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -96.48 -47.64 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.959 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.88 -62.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.532 ' CD2' ' CE ' ' A' ' 39' ' ' LYS . 6.2 mt -112.79 171.03 7.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.6 ttpt -86.98 121.15 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.336 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -48.34 -41.42 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.283 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.29 73.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 55.350000000000001 109.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 27.8 mm-40 -75.67 -63.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 110.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' HD12 ' A' ' 7' ' ' LEU . 26.9 m -54.0 -29.46 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 65.329999999999998 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -49.07 37.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 62.240000000000002 110.421 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.91 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -80.7 -33.16 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.78 -33.84 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.29 -18.9 54.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 64.120000000000005 109.308 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.91 -8.5 73.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 72.340000000000003 110.982 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.17 26.07 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.326 -0.99 . . . . 74.310000000000002 108.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 -16.88 53.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -98.44 102.18 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 54.149999999999999 109.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.82 133.93 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.150000000000006 109.264 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.72 16.89 74.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 71.319999999999993 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p -126.68 12.25 7.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 64.209999999999994 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.6 t80 -75.56 136.53 40.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.010000000000005 111.019 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 4.2 m-20 -138.87 93.16 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.355 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 89' ' ' ALA . 26.5 p80 -39.89 -59.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.624 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 26.6 mtmt -43.58 -47.15 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 73.209999999999994 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 6.1 mptt -63.25 -39.49 94.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 3.2 t80 -61.31 -63.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 75.310000000000002 111.01 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.639 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 15.9 m-85 -52.33 -23.11 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 111.026 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -77.36 -51.2 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 74.349999999999994 109.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 109.285 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 82.2 m -90.66 -26.17 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 73.120000000000005 108.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.73 -14.37 64.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 62.229999999999997 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 mt -42.52 -28.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.308 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLY . 42.1 t -65.29 -49.21 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 74.329999999999998 110.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -90.07 6.65 82.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 29.3 mmtt -71.23 -179.64 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 73.230000000000004 109.289 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -87.89 153.35 21.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 72.340000000000003 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.498 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 1.3 m -68.88 -26.55 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.409 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.62 -63.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' OE2' ' CG ' ' A' ' 39' ' ' LYS . 6.6 pt-20 -51.72 -36.93 48.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 75.310000000000002 110.307 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 40' ' ' SER . 25.4 t -45.67 -47.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 54.219999999999999 109.335 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.258 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -76.14 -20.93 57.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 71.329999999999998 109.326 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.04 -37.26 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 63.32 109.344 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 10.1 t80 -62.42 -20.94 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 70.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.36 -8.64 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.651 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -72.52 -48.93 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 70.109999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.86 -58.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.334 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.579 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 71.6 m-20 -40.17 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.020000000000003 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.39 -17.06 33.17 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.629 1.68 . . . . 64.040000000000006 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.4 p-10 -119.96 -14.13 8.95 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.889 -1.053 . . . . 54.509999999999998 109.995 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 20.7 mmtp 61.92 36.96 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 109.304 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.418 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.1 p -56.92 -17.67 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.17 -31.94 6.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 72.099999999999994 110.972 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.0 -170.86 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 75.219999999999999 111.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.3 mt -127.24 77.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -52.52 165.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 74.540000000000006 110.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -51.93 -41.48 62.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 74.140000000000001 110.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.85 -24.47 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 75.420000000000002 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -88.1 -34.25 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 12.3 mt -52.17 -54.52 29.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 75.049999999999997 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -53.26 -21.09 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.120000000000005 109.268 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -92.76 26.69 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.283 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.726 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 15.3 t80 -77.56 2.35 16.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 70.219999999999999 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 17.2 mt -118.13 -7.75 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.129999999999995 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -89.4 1.48 55.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.295 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.596 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.4 p30 -86.13 -45.33 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 74.030000000000001 109.341 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD1' ' CD2' ' A' ' 3' ' ' PHE . 51.0 m-85 -83.27 9.49 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 73.230000000000004 111.02 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -179.06 154.85 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 109.3 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.17 27.28 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 65.140000000000001 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.81 20.79 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 51.43 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -92.45 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 74.219999999999999 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -57.97 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.340000000000003 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.25 137.55 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' A' ' 25' ' ' PHE . 2.5 mm? -53.07 140.49 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.200000000000003 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 82' ' ' GLU . 32.0 t -61.13 164.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 75.019999999999996 109.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -26.25 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -54.5 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . 18.1 mt-10 -44.99 -43.16 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 72.519999999999996 110.342 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.3 m -67.0 -32.53 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 74.030000000000001 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.9 mtmt -66.37 -40.84 89.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 73.430000000000007 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.38 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.420000000000002 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.726 ' CE1' ' CG ' ' A' ' 67' ' ' PHE . 10.2 t80 -70.81 -13.72 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.319999999999993 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . 38.4 tp -83.94 -56.58 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 72.400000000000006 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -25.3 64.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . . . -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.140000000000001 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.72 -60.16 1.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 64.340000000000003 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.8 t0 -61.44 120.69 10.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 64.239999999999995 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 t -100.44 -14.86 18.13 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.652 1.691 . . . . 71.409999999999997 110.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 12.5 p-10 -98.62 -13.8 20.18 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 114.935 -1.029 . . . . 65.400000000000006 109.996 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 50.15 67.96 1.62 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 73.299999999999997 111.011 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -110.16 -23.01 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 71.109999999999999 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.39 -2.1 18.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 70.329999999999998 111.012 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -131.62 146.65 52.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 64.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.402 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 1.7 mt -118.96 108.03 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 74.340000000000003 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.36 -163.94 16.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.457 1.098 . . . . 63.439999999999998 110.98 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -83.93 -37.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 75.439999999999998 109.269 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -69.62 -16.07 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.301 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -102.51 -36.98 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.409999999999997 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 107' ' ' ILE . 57.3 t80 -78.03 -24.89 47.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . . . -88.96 -13.31 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 61.520000000000003 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.77 -50.41 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 71.049999999999997 109.336 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.562 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.1 ptm -54.97 -15.47 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 111.041 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.639 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -109.03 -32.91 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -54.39 -41.36 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 74.299999999999997 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 75.310000000000002 110.989 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.977 -0.379 . . . . 72.420000000000002 109.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 mtm -68.69 77.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.040000000000006 111.039 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.19 -56.33 3.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 74.019999999999996 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.622 ' CD1' ' CG2' ' A' ' 50' ' ' ILE . 8.2 m-85 -52.1 -21.11 2.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 73.310000000000002 111.013 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.09 -23.55 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.291 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -82.77 -51.21 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 74.549999999999997 109.959 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.11 -62.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -104.54 -176.52 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.219999999999999 109.31 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -83.72 121.83 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 73.040000000000006 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -53.2 -31.56 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.209999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.24 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 74.140000000000001 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.18 -58.47 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 110.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 13' ' ' THR . 20.9 m -57.85 -30.48 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 74.129999999999995 109.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 ' N ' HG23 ' A' ' 12' ' ' VAL . 1.1 m -50.66 -55.17 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 71.120000000000005 110.362 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.02 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.294 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.89 -18.32 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.25 -29.43 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -84.27 -17.09 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 72.030000000000001 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -14.87 81.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 111.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' C ' ' N ' ' A' ' 21' ' ' ALA . 9.3 p -108.45 -20.17 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.255 -1.017 . . . . 74.420000000000002 108.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -40.35 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 71.099999999999994 109.265 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 19' ' ' CYS . . . -73.49 117.16 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 64.120000000000005 109.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' SER . . . -50.64 149.37 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 109.288 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 39.47 29.55 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 64.340000000000003 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.419 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 1.5 t -125.6 2.78 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.966 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 23.5 t80 -65.67 125.35 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.549999999999997 111.037 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 1.3 m-20 -123.52 82.35 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 74.409999999999997 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 26.1 p-80 -40.22 -56.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.439999999999998 109.572 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 50.2 mttt -43.2 -51.09 6.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 75.129999999999995 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -62.49 -38.04 88.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.349999999999994 109.295 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 1.6 t80 -59.62 -63.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 73.109999999999999 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CG2' ' A' ' 107' ' ' ILE . 12.0 m-85 -56.99 -36.91 70.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 110.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -73.16 -25.12 60.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 109.245 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.13 -61.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 51.530000000000001 109.347 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 7.7 p -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 108.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.11 -9.74 59.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.975 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' PHE . 10.8 mt -40.38 -38.31 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 74.409999999999997 109.311 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -71.57 117.77 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.81 -22.08 41.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.27 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 74.430000000000007 109.299 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.91 140.66 32.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 109.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -66.21 -9.68 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 75.219999999999999 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -78.98 -55.12 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 63.329999999999998 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.5 pt-20 -58.33 -40.66 82.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 107' ' ' ILE . 69.2 t -46.59 -50.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 63.130000000000003 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 45.6 mttm -54.24 -32.19 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mmmt -80.1 -24.16 40.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -21.56 36.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 109.283 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 30.4 t80 -72.58 -20.77 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 110.96 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.12 -44.59 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 61.219999999999999 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.622 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 8.9 mm -41.31 -47.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 mt -70.88 -61.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.25 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -40.38 103.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 74.209999999999994 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 26.6 mt-30 -95.2 -23.49 17.24 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.639 1.685 . . . . 74.519999999999996 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.1 p-10 -113.15 3.97 16.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.857 -1.068 . . . . 73.430000000000007 109.962 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 41.09 49.48 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 109.314 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -74.0 -4.62 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 75.329999999999998 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 96.16 -28.31 13.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 111.055 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.415 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 12.9 m-85 -136.89 177.98 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 75.239999999999995 110.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.469 HD12 ' CE1' ' A' ' 48' ' ' PHE . 36.5 mt -118.83 76.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.240000000000002 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -47.5 163.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 74.099999999999994 110.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.22 -24.67 28.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 73.430000000000007 110.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.95 -25.6 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -86.0 -26.4 25.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.549999999999997 110.259 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 11.4 mt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.4 -15.87 30.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 75.120000000000005 109.287 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 mt -92.82 27.36 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.150000000000006 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 53.7 t80 -81.42 7.4 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 110.991 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.9 mt -118.53 -7.64 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.420000000000002 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 38.0 mt-30 -91.86 1.67 57.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 72.430000000000007 110.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.59 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.9 p30 -83.53 -45.49 13.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 71.010000000000005 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 30' ' ' PHE . 71.9 m-85 -82.84 6.13 19.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -177.28 151.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.09 64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 71.310000000000002 109.288 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 177.51 -34.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 62.32 110.99 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' GLY . . . -39.61 139.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 73.239999999999995 109.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -56.74 -170.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 75.200000000000003 110.29 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' LEU . . . -127.13 133.37 50.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 63.32 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 25' ' ' PHE . 1.8 mm? -40.28 147.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 64.129999999999995 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -60.15 -176.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 61.219999999999999 109.962 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.98 -29.67 66.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 64.329999999999998 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -86.95 -50.55 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 72.519999999999996 109.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -46.3 -45.35 17.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 62.310000000000002 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 m -68.3 -27.79 66.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.432 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ALA . 18.4 mttm -71.34 -45.83 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.8 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 73.099999999999994 109.311 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 27' ' ' HIS . 7.0 t80 -64.93 -13.6 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 72.329999999999998 110.959 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 49.7 tp -84.15 -64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 74.409999999999997 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -23.27 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.97 -28.69 66.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 71.450000000000003 109.308 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.81 -69.87 0.6 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 51.420000000000002 111.02 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.6 t0 -48.65 119.59 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 71.129999999999995 109.271 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -100.6 4.16 43.15 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 123.637 1.684 . . . . 70.129999999999995 110.032 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.4 p-10 -123.85 -9.6 7.77 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.948 -1.025 . . . . 62.509999999999998 109.994 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.05 63.28 2.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 74.019999999999996 110.966 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -103.06 -22.94 13.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 73.099999999999994 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.96 5.74 11.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -143.86 154.89 43.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 73.310000000000002 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 mt -126.97 104.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.326 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.54 -170.05 8.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 74.219999999999999 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -76.4 -52.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 75.010000000000005 109.271 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.75 -29.21 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 75.25 109.312 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.36 -36.28 19.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.405 ' O ' ' HG2' ' A' ' 106' ' ' MET . 53.3 t80 -66.12 -31.92 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 75.420000000000002 111.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.474 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.4 -3.78 59.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.430000000000007 109.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 -53.98 4.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 74.530000000000001 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.562 ' HE3' ' CE2' ' A' ' 86' ' ' PHE . 5.0 ptm -53.23 -19.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 74.040000000000006 110.947 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.546 ' CG2' ' CD2' ' A' ' 31' ' ' PHE . 17.8 pt -100.41 -44.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -61.41 -22.7 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 75.200000000000003 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.984 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.015 -0.365 . . . . 73.409999999999997 110.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.9 ttm -96.17 132.05 42.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 111.065 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' HB1' ' CD1' ' A' ' 50' ' ' ILE . . . -84.49 -53.55 5.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 73.510000000000005 109.285 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 71' ' ' PHE . 8.1 m-85 -53.08 -19.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.25 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.77 -28.24 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 t -102.38 -44.17 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 71.409999999999997 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.59 -63.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 3' ' ' PHE . 32.4 mt -107.16 -176.26 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 74.530000000000001 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.2 111.94 22.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.230000000000004 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 8.5 p-10 -57.75 -17.68 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 70.439999999999998 109.323 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -85.96 -29.2 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.271 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.6 mm-40 -86.8 -60.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.219999999999999 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 13' ' ' THR . 4.5 m -39.06 -51.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -48.39 -51.21 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 110.406 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -59.53 -34.03 72.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.329999999999998 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -73.85 -24.68 59.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 74.450000000000003 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mt -74.55 -43.28 56.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.94 -17.0 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 62.340000000000003 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.94 -4.03 61.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.448 1.092 . . . . 55.420000000000002 110.996 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -138.82 25.15 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 71.310000000000002 108.301 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.26 -46.88 88.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 109.286 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.99 120.56 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 75.409999999999997 109.333 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 140.68 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 74.019999999999996 109.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.64 -24.56 16.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 111.002 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 p -98.14 14.83 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 73.319999999999993 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 78' ' ' LEU . 2.2 t80 -89.99 146.65 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 111.031 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.9 m-20 -144.43 128.78 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.340000000000003 109.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 15.7 p80 -69.41 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 62.240000000000002 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mtmm -47.55 -39.23 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.030000000000001 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.5 mmtt -66.35 -55.02 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 4.9 t80 -43.47 -63.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 111.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.8 m-85 -52.12 -26.66 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 64.439999999999998 111.012 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -86.33 -24.16 25.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.61 -28.07 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 2.7 m -94.17 -27.13 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 75.239999999999995 108.328 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 106.69 -13.46 42.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 63.219999999999999 111.02 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 7' ' ' LEU . 7.5 mt -41.44 -29.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.1 t -65.54 -51.42 59.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 110.03 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.35 5.0 82.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 63.409999999999997 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -76.84 -175.36 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 73.140000000000001 109.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.2 m -99.53 147.33 25.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 110.012 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -12.74 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.275 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 pt-20 -54.27 -38.14 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 74.310000000000002 110.307 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 107' ' ' ILE . 79.7 t -47.55 -45.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 73.150000000000006 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 47.1 mttm -60.02 -31.55 70.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.450000000000003 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -85.68 -20.53 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 74.010000000000005 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.62 -12.19 56.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 70.2 t80 -80.12 -21.63 43.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' CB ' ' HE2' ' A' ' 55' ' ' LYS . . . -86.37 -28.67 23.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 73.310000000000002 109.307 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 3' ' ' PHE . 30.8 mm -56.65 -45.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 74.129999999999995 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.7 mt -69.93 -65.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m-20 -44.24 103.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 73.349999999999994 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 28.8 mt-30 -84.62 -16.57 41.58 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.693 1.711 . . . . 73.230000000000004 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.7 p30 -118.3 -6.61 10.8 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.897 -1.049 . . . . 65.140000000000001 109.977 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HE2' ' CB ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER 49.55 55.8 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.3 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.4 p -74.44 -11.38 60.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 74.019999999999996 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.39 -17.43 40.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 51.25 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -141.83 -175.43 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 111.038 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 11.7 mt -126.89 79.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 71.200000000000003 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -49.45 166.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 110.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.86 -33.0 74.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.329999999999998 110.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -73.95 -20.96 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.242 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 66' ' ' LEU . 12.1 mt-10 -94.47 -17.72 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 73.049999999999997 110.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD21 ' CG2' ' A' ' 59' ' ' ILE . 12.0 mt -61.45 -46.04 91.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.289 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -14.06 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 63' ' ' GLU . 13.4 mt -90.33 16.85 7.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 65.439999999999998 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.766 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -62.97 -12.13 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.209999999999994 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 30' ' ' PHE . 8.3 mt -100.74 -12.56 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.409999999999997 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 29.2 mt-30 -73.97 -2.93 26.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.588 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 4.9 p30 -83.7 -45.29 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.776 ' CE1' ' CE1' ' A' ' 3' ' ' PHE . 40.0 m-85 -85.68 8.48 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 3.2 tppt? -175.12 150.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 75.140000000000001 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.96 21.09 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 63.439999999999998 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.68 24.48 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 60.229999999999997 111.017 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.48 164.6 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 54.439999999999998 109.292 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.82 156.79 28.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 110.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.51 136.3 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 65.140000000000001 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD13 ' CD2' ' A' ' 25' ' ' PHE . 1.7 mm? -70.09 136.91 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 75.329999999999998 109.32 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.4 m -61.14 146.18 48.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.239999999999995 109.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.5 -30.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -68.78 -65.21 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 4.2 mp0 -49.43 -50.52 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 73.530000000000001 110.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -59.94 -36.91 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 60.130000000000003 110.437 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -59.5 -49.92 75.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 75.439999999999998 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -70.56 -16.27 62.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 75.310000000000002 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.649 ' CE1' ' CB ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -82.62 -31.98 28.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 74.239999999999995 111.006 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -75.04 -64.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.510000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -56.03 -19.72 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 72.109999999999999 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -61.79 -55.21 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 71.109999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.73 -57.24 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 74.129999999999995 110.971 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.418 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 6.0 t0 -59.03 119.54 7.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 70.030000000000001 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -100.56 -17.89 16.87 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 123.622 1.677 . . . . 65.310000000000002 110.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 11.9 p-10 -93.3 -15.57 25.65 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.948 -1.025 . . . . 74.540000000000006 109.999 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 53.53 60.2 8.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 63.340000000000003 110.992 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -101.86 -21.41 14.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 73.409999999999997 109.342 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.67 -1.08 29.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.939 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -130.19 149.04 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 74.109999999999999 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.418 ' CG1' ' HB2' ' A' ' 91' ' ' ASP . 3.4 mt -129.68 103.18 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.04 1.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.084 . . . . 71.510000000000005 111.028 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -82.06 -34.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 61.030000000000001 109.333 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -28.63 67.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 72.109999999999999 109.305 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.94 -37.5 16.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.249 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.409 ' O ' ' HG2' ' A' ' 106' ' ' MET . 9.1 t80 -72.94 -31.44 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.450000000000003 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.82 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.5 -54.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.303 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.454 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 6.1 ptm -51.45 -20.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 104' ' ' ALA . 11.8 pt -98.36 -43.15 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -66.09 -16.37 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 74.310000000000002 109.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 72.340000000000003 110.996 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.024 -0.361 . . . . 74.209999999999994 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mtt -101.12 84.86 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 74.140000000000001 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' CB ' HD13 ' A' ' 50' ' ' ILE . . . -84.49 -56.32 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 75.129999999999995 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.73 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 9.2 m-85 -48.23 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 72.420000000000002 111.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' OD2' ' A' ' 9' ' ' ASP . . . -43.6 -27.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 m -100.48 -42.74 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.6 -63.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 73.409999999999997 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD13 ' CE2' ' A' ' 3' ' ' PHE . 8.4 mt -114.55 -176.34 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 66.6 mmtt -82.81 122.48 28.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.299999999999997 109.337 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.485 ' OD2' ' CB ' ' A' ' 4' ' ' ALA . 13.2 m-20 -59.59 -21.26 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 70.439999999999998 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.78 -19.63 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 16.3 mm-40 -87.95 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 65.030000000000001 110.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' HB ' ' CD2' ' A' ' 71' ' ' PHE . 13.6 m -40.33 -52.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.25 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -44.71 -51.35 9.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 75.450000000000003 110.371 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.39 -38.66 69.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 71.200000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -61.37 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.200000000000003 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.59 -54.3 45.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 74.150000000000006 109.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.94 -14.14 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 74.530000000000001 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.65 -15.53 71.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 71.109999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -133.32 28.3 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 72.040000000000006 109.279 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 149.62 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 72.340000000000003 109.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.71 153.36 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 8.23 48.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 61.509999999999998 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -123.9 24.94 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 74.430000000000007 109.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 78' ' ' LEU . 74.2 t80 -75.07 141.13 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 110.966 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -144.66 94.14 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 86' ' ' PHE . 31.6 p80 -61.21 -59.42 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 109.568 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 5.4 pttt -40.02 -59.93 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.1 mptp? -53.83 -54.13 42.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 75.530000000000001 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 15' ' ' ALA . 5.1 t80 -41.61 -63.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 74.319999999999993 111.0 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.4 m-85 -52.14 -25.75 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 72.319999999999993 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 12.3 mmtt -87.54 -23.93 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 75.430000000000007 109.325 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.01 -31.61 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 72.040000000000006 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.554 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 m -89.35 -27.18 20.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 75.5 108.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 106.79 -13.98 41.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mt -40.47 -30.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 0.772 . . . . 71.329999999999998 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 32' ' ' LYS . 1.5 t -69.38 -59.2 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 74.420000000000002 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.61 -5.71 69.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 73.120000000000005 111.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 7' ' ' LEU . 15.2 mmtt -69.04 -174.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 72.310000000000002 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 m -98.08 146.96 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.019999999999996 109.993 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -63.18 -12.3 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 110.439 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.91 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 74.219999999999999 109.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.5 pt-20 -57.34 -39.47 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 71.530000000000001 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 107' ' ' ILE . 69.2 t -42.36 -47.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' CG ' HD12 ' A' ' 100' ' ' ILE . 22.9 mttm -54.41 -44.4 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 74.409999999999997 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . 2.6 mtmt -75.05 -20.5 59.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -11.62 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 75.1 t80 -85.44 -20.68 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' CB ' ' NZ ' ' A' ' 55' ' ' LYS . . . -83.58 -43.1 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 3' ' ' PHE . 6.7 mm -40.49 -47.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 72.510000000000005 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.8 mt -70.96 -64.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 75.120000000000005 109.335 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 73.3 m-20 -43.26 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 71.430000000000007 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 12.2 mt-30 -88.15 -33.34 18.25 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.594 1.664 . . . . 72.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -98.07 -6.25 32.14 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 117.93 -1.033 . . . . 64.109999999999999 109.998 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' NZ ' ' CB ' ' A' ' 49' ' ' ALA . 7.9 mmmt 49.49 54.51 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 75.239999999999995 109.297 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -74.72 -6.95 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.120000000000005 110.002 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 -5.4 71.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 74.230000000000004 110.984 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.08 -178.22 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 73.120000000000005 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.546 HD11 ' CE2' ' A' ' 48' ' ' PHE . 24.9 mt -127.64 81.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 72.430000000000007 109.254 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -48.13 175.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 110.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.28 -28.28 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.345 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -80.73 -21.99 40.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.510000000000005 110.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -85.93 -22.55 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 60.310000000000002 110.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.82 -40.12 91.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 73.420000000000002 109.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.56 -13.11 61.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' CD2' ' NE2' ' A' ' 69' ' ' GLN . 11.3 mt -94.44 26.9 3.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 70.400000000000006 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.792 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -70.03 -11.36 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.010000000000005 111.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.5 mt -102.0 -13.58 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.345 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.46 ' NE2' ' CD2' ' A' ' 66' ' ' LEU . 49.5 mt-30 -71.1 -5.71 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.549999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.598 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 5.1 p30 -82.75 -45.19 14.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 73.409999999999997 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.73 ' CE2' ' CE1' ' A' ' 3' ' ' PHE . 34.5 m-85 -83.43 10.02 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 111.034 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.47 147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 74.140000000000001 109.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.47 29.8 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.74 29.38 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 71.099999999999994 110.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.27 158.06 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 70.409999999999997 109.264 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.38 160.21 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 110.281 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.13 145.56 29.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 72.25 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 25' ' ' PHE . 1.9 mm? -76.64 168.29 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.109999999999999 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.8 t -77.68 167.89 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 73.510000000000005 110.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -24.28 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.439999999999998 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.21 -51.89 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 61.43 109.357 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -52.84 -55.45 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 74.530000000000001 110.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 m -56.49 -30.53 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 74.310000000000002 110.418 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -68.24 -62.81 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -48.45 -24.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -80.01 -40.81 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 75.409999999999997 111.0 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.62 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.28 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -54.25 -31.09 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.56 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . . . -57.4 -36.07 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -71.53 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 65.310000000000002 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -45.21 119.83 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 109.263 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -12.48 19.48 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 123.607 1.67 . . . . 72.409999999999997 110.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.8 p-10 -104.43 -9.15 18.63 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.862 -1.066 . . . . 70.040000000000006 109.944 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 47.51 62.78 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 73.230000000000004 111.013 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -105.08 -23.04 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 73.239999999999995 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 -0.7 22.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 43.130000000000003 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -130.81 154.46 48.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 74.200000000000003 109.279 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.43 108.52 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 74.030000000000001 109.335 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.13 -162.94 10.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 74.299999999999997 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.432 HD12 ' CG ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -83.86 -34.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 64.349999999999994 109.279 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -28.96 66.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 72.540000000000006 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.73 -33.95 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.209999999999994 110.311 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 12.4 t80 -76.35 -31.44 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.79 -4.03 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 73.099999999999994 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.46 -54.3 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 63.329999999999998 109.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.511 ' HE3' ' CD2' ' A' ' 86' ' ' PHE . 3.8 ptm -51.67 -21.21 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.329999999999998 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 104' ' ' ALA . 12.6 pt -97.42 -43.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 74.209999999999994 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -66.87 -15.85 63.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 74.040000000000006 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 60.299999999999997 110.959 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 2' ' ' ALA . 7.8 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.954 -0.387 . . . . 73.010000000000005 109.954 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' CB ' ' A' ' 4' ' ' ALA . 7.2 tpt -62.02 78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 110.983 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 0' ' ' SER . . . -89.27 -50.05 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 75.400000000000006 109.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.763 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.5 m-85 -48.66 -24.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 74.25 111.007 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -42.15 -28.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 63.310000000000002 109.322 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 m -79.26 -53.55 6.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 110.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.58 -62.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.099999999999994 109.293 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -105.76 175.37 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.296 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.0 131.2 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 73.420000000000002 109.331 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.12 -34.95 46.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 75.109999999999999 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.23 -26.14 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 53.149999999999999 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mm-40 -76.62 -62.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.049999999999997 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 15' ' ' ALA . 20.6 m -52.08 -31.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 72.530000000000001 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.29 -52.24 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.150000000000006 110.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.41 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 109.286 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -78.13 -27.76 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -79.42 -29.36 41.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.549999999999997 109.274 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.87 -23.4 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.19 -7.01 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.020000000000003 110.992 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.74 24.46 5.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.281 -1.007 . . . . 74.349999999999994 108.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.97 -39.06 63.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 75.209999999999994 109.336 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.65 135.52 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 75.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 124.63 23.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.46 -3.85 85.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 74.329999999999998 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 t -99.95 10.79 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 0.724 . . . . 73.319999999999993 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 78' ' ' LEU . 9.4 t80 -83.15 108.67 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 70.510000000000005 111.005 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.6 m-20 -111.59 95.07 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 65.329999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -40.75 -62.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 75.0 109.613 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -42.72 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' LYS . 6.0 mmmm -48.67 -59.95 3.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 75.310000000000002 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.6 t80 -39.5 -63.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.450000000000003 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.502 ' CG ' HG22 ' A' ' 107' ' ' ILE . 42.5 m-85 -59.08 -26.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.120000000000005 110.931 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.5 mtpm? -80.59 -18.47 48.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 109.286 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -83.78 -62.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 p -64.99 -18.13 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 71.150000000000006 108.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.99 -4.41 78.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 71.200000000000003 110.994 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.38 -31.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 75.400000000000006 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.1 t -68.35 -52.21 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 70.140000000000001 110.034 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -82.94 -0.94 90.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 53.450000000000003 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' GLY . 18.9 mmtt -68.38 -171.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 75.230000000000004 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.0 m -103.61 137.89 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.025 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -52.26 -20.7 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.239999999999995 110.388 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -61.31 -63.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 109.308 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' ALA . 6.3 pt-20 -59.79 -38.45 81.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.329 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 107' ' ' ILE . 70.0 t -43.36 -51.44 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -59.9 -37.67 80.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 72.450000000000003 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.5 mtpm? -73.56 -20.53 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.439999999999998 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -80.96 -35.51 32.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.140000000000001 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' CD1' ' A' ' 59' ' ' ILE . 84.1 t80 -62.29 -21.59 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.29 -12.61 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 74.109999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.681 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 14.2 mm -70.77 -59.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 74.25 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.474 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.91 -70.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.354 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 2.0 t0 -41.02 103.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.314 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.9 mt-30 -93.59 -41.66 9.62 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 123.634 1.683 . . . . 75.219999999999999 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 29.2 p30 -73.69 -20.31 60.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.919 -1.039 . . . . 72.5 109.967 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 53.76 25.1 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 73.120000000000005 109.329 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' CG ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -48.25 -24.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.439999999999998 110.044 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.05 -54.83 0.77 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 62.539999999999999 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CG ' ' NZ ' ' A' ' 97' ' ' LYS . 14.5 m-85 -127.22 134.68 50.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 72.109999999999999 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.565 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 96.4 mt -68.71 83.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 72.329999999999998 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.16 166.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 63.140000000000001 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.4 -34.51 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 71.219999999999999 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.69 -26.47 67.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.049999999999997 110.293 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 87' ' ' LEU . 11.9 mt -51.45 -54.07 30.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 74.349999999999994 109.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.95 -20.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.129999999999995 109.345 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 mt -92.77 27.38 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 71.340000000000003 109.287 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 79.1 t80 -77.72 2.79 15.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.129999999999995 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.0 mt -117.92 -7.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 109.304 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.92 1.05 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.7 p30 -84.4 -46.02 12.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 65.329999999999998 109.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 53.0 m-85 -81.4 4.11 22.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 74.140000000000001 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -175.15 149.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.7 24.68 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 65.420000000000002 109.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.32 21.01 0.84 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -87.93 151.69 22.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 0.8 . . . . 74.140000000000001 109.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -61.59 -170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.319999999999993 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.3 124.43 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 64.25 109.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 25' ' ' PHE . 1.3 mm? -40.37 134.19 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 74.540000000000006 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -61.66 167.22 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 74.140000000000001 109.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -23.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.297 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.84 -61.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.287 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.6 mp0 -49.44 -22.78 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 75.540000000000006 110.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.0 m -89.37 -28.7 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.403 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.5 mtpt -74.89 -40.36 60.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 75.510000000000005 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.12 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.526 ' CD2' ' HE2' ' A' ' 106' ' ' MET . 7.7 t80 -81.19 -15.72 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 74.349999999999994 111.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 46.0 tp -82.32 -52.11 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.54 -26.7 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 75.230000000000004 109.35 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.12 -65.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 62.229999999999997 109.313 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.58 -72.96 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.112 . . . . 63.299999999999997 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -44.9 119.67 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 62.32 109.298 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 t -100.62 -37.95 8.55 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 123.611 1.672 . . . . 71.209999999999994 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.6 p-10 -72.9 -9.53 58.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 117.936 -1.031 . . . . 72.140000000000001 110.007 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.21 53.25 31.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 111.016 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.53 -22.91 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 71.439999999999998 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 13.05 23.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.546 ' NZ ' ' CG ' ' A' ' 58' ' ' PHE . 4.9 mtmp? -135.46 147.41 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.75 . . . . 71.209999999999994 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.469 ' CD1' HD13 ' A' ' 64' ' ' LEU . 3.8 mt -123.45 107.52 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 70.010000000000005 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.8 -163.88 32.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 74.120000000000005 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.75 -39.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 72.230000000000004 109.313 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -16.63 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 73.340000000000003 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -98.63 -38.72 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 64.010000000000005 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.47 -26.6 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 74.349999999999994 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.19 -12.51 49.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 64.219999999999999 109.321 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.69 -51.59 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.526 ' HE2' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.05 -18.37 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 111.033 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.502 HG22 ' CG ' ' A' ' 31' ' ' PHE . 24.5 pt -100.61 -44.99 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 73.340000000000003 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -30.69 63.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 71.099999999999994 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 64.219999999999999 110.982 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.023 -0.362 . . . . 74.340000000000003 110.023 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.47 119.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' CB ' HG22 ' A' ' 50' ' ' ILE . . . -75.78 -41.14 53.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 64.239999999999995 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.6 m-85 -59.24 -15.61 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 62.450000000000003 110.982 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 51.329999999999998 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 p -82.13 -54.61 5.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 110.07 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.84 -63.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 3' ' ' PHE . 0.7 OUTLIER -115.97 -176.42 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.519999999999996 109.302 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -93.79 136.17 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.285 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -60.16 -16.09 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 62.240000000000002 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.64 -25.01 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 54.210000000000001 109.329 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -86.96 -66.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.219999999999999 110.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 71' ' ' PHE . 13.7 m -41.28 -40.54 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.32 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.59 -54.44 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 110.426 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -49.89 -36.01 25.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 30' ' ' PHE . . . -69.19 -36.14 76.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 mt -67.18 -36.0 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 65.049999999999997 109.288 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -89.4 -15.99 31.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 64.049999999999997 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -68.72 -6.78 52.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 51.210000000000001 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 22.8 p -137.19 24.19 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.324 -0.991 . . . . 70.409999999999997 108.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -56.16 -46.77 79.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 75.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 98.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.030000000000001 109.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.84 130.06 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.52 39.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 53.229999999999997 110.995 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.99 18.0 15.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 74.010000000000005 109.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.59 124.3 26.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.965 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 6.2 m-20 -130.7 86.37 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 109.336 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 54.4 p-80 -40.0 -56.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 62.43 109.57 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 29.0 mtmt -47.6 -45.31 27.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 47.9 mmtt -62.63 -59.7 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.345 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 15' ' ' ALA . 2.1 t80 -39.05 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 75.349999999999994 110.958 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 57.9 m-85 -52.09 -36.64 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 75.120000000000005 111.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -73.89 -23.31 59.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.340000000000003 109.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -73.34 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 53.32 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 7.6 p -62.37 -20.43 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 73.340000000000003 108.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.32 -11.25 54.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 110.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' PHE . 11.0 mt -40.45 -37.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 74.25 109.335 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -69.54 112.03 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 74.129999999999995 109.969 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 -20.98 41.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 52.109999999999999 110.998 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -53.84 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 74.530000000000001 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -84.26 139.56 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 110.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -63.95 -11.3 27.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.404 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -76.11 -54.56 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 72.420000000000002 109.309 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.0 -38.24 82.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 75.129999999999995 110.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 107' ' ' ILE . 78.4 t -48.88 -55.58 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 64.549999999999997 109.29 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 39.6 mttm -45.53 -34.45 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 64.400000000000006 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 8.2 mmmm -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.14 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 43.32 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CZ ' HG13 ' A' ' 59' ' ' ILE . 65.9 t80 -59.4 -23.99 63.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.510000000000005 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.37 -20.31 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 109.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.557 HG23 ' CD1' ' A' ' 3' ' ' PHE . 12.7 mm -70.01 -47.88 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.5 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 8.3 mt -71.1 -68.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 71.450000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 59' ' ' ILE . 6.1 m-20 -43.84 103.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 75.430000000000007 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 29.3 mt-30 -88.84 -13.05 40.2 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.633 1.683 . . . . 74.340000000000003 110.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.3 p30 -108.25 -23.57 11.87 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.932 -1.032 . . . . 70.329999999999998 109.964 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 1.9 mmmm 58.21 21.74 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 74.319999999999993 109.351 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.14 -53.65 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 74.310000000000002 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.92 -36.56 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 110.978 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -140.42 132.32 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 71.420000000000002 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.568 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 67.0 mt -68.17 103.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 73.209999999999994 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.98 169.73 16.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 71.549999999999997 110.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -59.18 -24.63 63.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 110.255 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.26 -17.22 55.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 74.209999999999994 110.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -96.4 -26.89 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 110.31 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 98' ' ' ILE . 10.6 mt -61.6 -25.63 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.030000000000001 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 77' ' ' ALA . 9.0 ptmm? -83.81 -11.93 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.510000000000005 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mt -97.44 20.04 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 40.3 t80 -61.18 -13.6 19.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.450000000000003 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.95 -12.24 18.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 75.420000000000002 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 50.4 mt-30 -74.72 -2.05 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 71.340000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.593 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 5.0 p30 -82.61 -43.45 16.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 75.430000000000007 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 48.9 m-85 -85.78 9.35 16.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.099999999999994 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 3.4 tmtt? -179.02 148.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.278 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.81 29.93 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.22 27.29 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.84 153.53 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 72.349999999999994 109.299 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.8 ptt180 -57.37 -177.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 73.120000000000005 110.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 65' ' ' LYS . . . -127.84 111.86 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -41.22 139.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 73.140000000000001 109.309 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -67.92 161.98 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 73.340000000000003 110.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -49.14 -24.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -81.03 -63.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -52.11 -22.52 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.7 m -92.43 -23.92 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 19.0 mtpt -68.04 -58.48 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.13 -16.07 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 73.109999999999999 109.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 106' ' ' MET . 0.4 OUTLIER -86.81 -38.01 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.120000000000005 110.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.69 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.45 -19.4 14.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . . . -64.2 -55.81 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 75.530000000000001 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.03 -60.51 1.13 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -45.01 122.3 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.209999999999994 109.305 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -54.29 4.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.648 1.69 . . . . 60.420000000000002 109.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 95' ' ' ASP . 3.6 p30 -87.72 7.59 29.52 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.884 -1.055 . . . . 74.230000000000004 109.968 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.66 51.54 1.92 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 52.520000000000003 110.999 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 9.0 p-10 -81.2 -22.91 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 74.420000000000002 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.46 1.72 12.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 72.120000000000005 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.08 151.74 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 72.530000000000001 109.285 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 64' ' ' LEU . 3.1 mt -130.18 104.81 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.18 -165.04 5.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 75.150000000000006 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -83.72 -52.11 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 73.129999999999995 109.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.36 -29.33 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -86.61 -42.64 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 110.297 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.4 t80 -59.54 -32.3 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.53 -5.48 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.94 -54.42 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 72.319999999999993 109.288 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 86' ' ' PHE . 4.3 ptm -52.05 -20.08 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 75.439999999999998 110.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 44' ' ' VAL . 14.9 pt -99.79 -43.67 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.450000000000003 109.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -61.08 -22.8 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.428 1.08 . . . . 62.409999999999997 111.023 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.998 -0.371 . . . . 72.299999999999997 109.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.77 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 65.209999999999994 111.019 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.91 -26.87 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.049999999999997 109.29 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.736 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.1 m-85 -70.92 -5.3 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 74.25 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -15.42 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 74.25 109.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -107.22 -38.32 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 109.96 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.66 -62.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 64.219999999999999 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -113.19 -176.52 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 74.540000000000006 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 1.3 mmmp? -82.55 118.29 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.98 -19.99 55.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.030000000000001 109.354 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.13 -20.64 29.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 74.140000000000001 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 85.5 mt-10 -87.69 -65.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 m -40.8 -34.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 61.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.75 -51.05 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.42 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -56.44 -34.15 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.5 -21.77 60.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 63.119999999999997 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 mt -88.8 -29.95 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 63.219999999999999 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.95 -24.43 23.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.26 -12.48 81.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 63.219999999999999 111.0 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.3 p -108.97 -18.18 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.303 -0.999 . . . . 74.319999999999993 108.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -40.28 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 74.329999999999998 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' CYS . . . -78.56 109.41 12.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.55 146.73 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 74.239999999999995 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.79 18.88 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 54.149999999999999 111.036 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.6 t -123.04 13.11 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 64.450000000000003 109.96 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.1 t80 -91.59 116.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 71.030000000000001 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 53.7 t0 -114.81 94.48 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' CE1' ' CB ' ' A' ' 89' ' ' ALA . 5.6 p-80 -39.91 -48.59 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.150000000000006 109.569 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 18.5 mtmt -50.31 -48.49 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 73.319999999999993 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 42.0 mmtt -65.48 -58.28 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 74.109999999999999 109.263 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 13.7 t80 -38.45 -63.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.450000000000003 111.028 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 22.9 m-85 -54.27 -35.52 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 73.409999999999997 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -74.46 -19.97 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.72 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.450000000000003 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.4 p -61.64 -20.76 63.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 108.254 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.64 -10.17 60.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.948 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -40.14 -30.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 72.340000000000003 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 35' ' ' GLY . 16.6 p -73.98 120.48 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 60.340000000000003 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.44 -17.77 57.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 110.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -54.77 -170.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 75.209999999999994 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -94.53 138.25 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 72.219999999999999 110.012 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -54.89 -18.61 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -65.48 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.209999999999994 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.0 pt-20 -56.82 -41.58 78.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 107' ' ' ILE . 55.5 t -45.31 -44.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 73.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' CG ' HD11 ' A' ' 100' ' ' ILE . 10.9 mttm -66.81 -45.27 78.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 73.040000000000006 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 11.7 mmtt -64.01 -20.92 66.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.519999999999996 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.94 -39.62 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 2.3 t80 -63.87 -20.67 66.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 111.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.73 -5.5 59.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 73.319999999999993 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.684 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 7.6 mm -77.78 -53.68 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 70.340000000000003 109.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' CE2' ' A' ' 48' ' ' PHE . 1.4 m-20 -42.08 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.030000000000001 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.82 -15.83 31.46 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.589 1.661 . . . . 73.109999999999999 110.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 11.4 p-10 -116.71 -18.43 10.27 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 117.929 -1.034 . . . . 74.310000000000002 110.034 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 62.39 29.67 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.040000000000006 109.266 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.455 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.5 p -45.98 -27.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.329999999999998 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 122.75 -13.84 8.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.4 m-85 -153.36 174.95 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 75.540000000000006 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.536 HD13 ' CD1' ' A' ' 48' ' ' PHE . 65.7 mt -116.6 88.39 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 75.129999999999995 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -69.23 160.65 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 65.140000000000001 110.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -40.0 -34.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.519999999999996 110.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -56.54 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.54 -28.82 69.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 73.439999999999998 110.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 87' ' ' LEU . 8.7 mt -51.9 -61.65 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -57.13 -17.95 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.420000000000002 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.59 27.78 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 64.340000000000003 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 85.7 t80 -78.09 4.59 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 72.400000000000006 111.033 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -117.77 -9.65 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 70.519999999999996 110.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.601 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.6 p30 -83.35 -45.17 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 51.6 m-85 -83.32 5.64 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 74.030000000000001 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.713 ' NZ ' ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -175.32 149.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.040000000000006 109.31 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.713 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . -101.27 22.52 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 71.400000000000006 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -147.45 17.8 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 71.319999999999993 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.62 -173.12 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 75.439999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 12.2 ptt180 -108.8 171.51 7.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 73.140000000000001 110.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 126.07 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.56 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.9 mm? -51.36 151.78 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.25 109.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 t -65.3 168.57 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 71.239999999999995 110.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -63.21 -25.07 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 71.25 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -38.4 15.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 72.209999999999994 109.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.71 -45.63 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 73.439999999999998 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -70.64 -21.06 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 64.319999999999993 110.441 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -60.95 -15.44 31.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 62.299999999999997 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -81.2 -35.79 30.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.5 111.037 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 64' ' ' LEU . 56.3 tp -68.73 -65.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 65.120000000000005 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.81 -19.49 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 75.340000000000003 109.361 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.565 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . . . -64.03 -35.45 80.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.92 -62.56 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 73.239999999999995 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -57.75 93.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 75.409999999999997 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.7 t -82.64 3.09 30.31 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.641 1.686 . . . . 74.329999999999998 109.957 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -118.59 -5.27 10.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 117.933 -1.032 . . . . 52.210000000000001 109.985 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.76 69.88 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 43.219999999999999 111.005 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.62 -22.96 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 0.702 . . . . 74.519999999999996 109.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.92 -1.83 14.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 64.25 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -143.03 156.14 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 74.540000000000006 109.335 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.0 mt -122.52 109.25 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 74.530000000000001 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.69 -162.49 27.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.459 1.099 . . . . 64.450000000000003 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.451 HD11 ' CG ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.54 -36.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 0.793 . . . . 75.439999999999998 109.296 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -20.25 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 71.409999999999997 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -95.29 -36.73 11.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 55.43 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 50.6 t80 -77.47 -29.77 52.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 75.310000000000002 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.22 -6.21 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 65.310000000000002 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.29 -55.26 4.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.304 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.475 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 6.6 ptm -48.68 -22.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 111.009 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.624 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 4.1 pt -101.62 -45.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 71.239999999999995 109.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -58.85 -18.6 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 74.329999999999998 109.326 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 64.420000000000002 110.98 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.013 -0.366 . . . . 65.439999999999998 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mmt 38.37 39.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.420000000000002 111.044 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' CB ' ' CD1' ' A' ' 50' ' ' ILE . . . -77.92 -41.51 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 72.230000000000004 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.789 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 8.9 m-85 -52.66 -19.79 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 75.120000000000005 111.001 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.67 -21.54 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 60.119999999999997 109.321 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -97.31 -48.31 5.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 71.450000000000003 110.033 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -63.74 -62.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 36' ' ' LEU . 11.3 mt -107.28 -179.54 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 109.237 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 10.0 mmmm -84.24 120.79 26.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.333 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -59.41 -24.19 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 109.342 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.25 -19.25 39.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 62.8 mm-40 -87.23 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' ALA . 16.3 m -44.46 -31.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.333 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.84 -51.04 9.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 75.230000000000004 110.411 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -61.62 -31.28 71.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.140000000000001 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.53 -20.21 60.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.140000000000001 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.57 -42.6 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.450000000000003 109.286 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.23 -29.38 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.318 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.06 -4.65 68.36 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 72.340000000000003 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -128.1 22.23 6.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.298 -1.001 . . . . 74.340000000000003 108.298 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -84.34 -15.81 45.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.313 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -95.33 112.36 24.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 109.27 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.47 140.06 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.281 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.8 62.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 42.130000000000003 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.9 t -128.43 7.13 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 70.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 19.6 t80 -89.42 138.89 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -136.28 97.18 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 50.1 p-80 -39.97 -56.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 109.582 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -48.31 -44.8 34.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 109.28 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ALA . 8.1 mmmm -62.74 -61.97 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 75.439999999999998 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.7 t80 -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.1 m-85 -55.86 -36.1 67.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 75.329999999999998 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -73.82 -17.33 61.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 75.230000000000004 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.16 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 61.210000000000001 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.497 ' SG ' ' CD1' ' A' ' 36' ' ' LEU . 7.2 p -64.24 -21.05 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 71.209999999999994 108.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 94.63 -5.74 70.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 70.109999999999999 110.984 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 2.3 mt -41.97 -28.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 75.439999999999998 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -64.96 -49.37 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 110.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -89.39 6.61 83.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.438 1.086 . . . . 70.219999999999999 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -72.64 -171.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 75.200000000000003 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.481 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 13.1 m -97.87 152.75 18.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 72.299999999999997 109.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -9.77 47.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 54.240000000000002 110.371 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -75.52 -63.4 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.150000000000006 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 40' ' ' SER . 90.5 t -47.98 -39.73 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -69.08 -32.98 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.4 mmmm -79.35 -21.11 46.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.82 -32.46 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -62.51 -22.46 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 65.430000000000007 111.012 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.03 56.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 109.361 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.667 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -73.01 -49.65 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 103' ' ' PHE . 2.5 mp -63.64 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.24 103.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 74.549999999999997 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 25.2 mt-30 -90.2 -15.44 31.43 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.594 1.664 . . . . 72.099999999999994 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p-10 -120.33 -22.22 6.61 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.924 -1.036 . . . . 63.539999999999999 109.961 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp 72.2 33.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 109.29 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -24.17 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 121.86 -23.18 7.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 71.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.9 m-85 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 74.409999999999997 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 45.2 mt -123.52 76.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 64.150000000000006 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.69 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 75.430000000000007 110.324 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 96' ' ' GLY . 64.7 tt0 -57.61 -32.21 66.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 110.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.96 -17.08 62.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 74.519999999999996 110.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -94.42 -21.54 18.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 110.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 87' ' ' LEU . 13.1 mt -59.38 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.315 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -55.89 -19.1 10.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -92.83 27.59 2.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 67' ' ' PHE . 39.6 t80 -79.05 4.98 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -106.31 -14.44 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.43 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 74.7 mt-30 -83.59 1.99 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.506 ' ND2' ' CG1' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -80.22 -49.87 11.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 109.344 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.789 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 60.5 m-85 -86.64 16.4 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.99 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -177.88 143.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.348 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.17 28.5 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.77 30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 73.200000000000003 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -86.51 156.92 19.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 75.030000000000001 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.06 173.81 5.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 74.420000000000002 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.96 145.47 41.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 53.140000000000001 109.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.667 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 2.8 mm? -64.03 175.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 74.329999999999998 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 31.3 t -87.92 -171.8 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 75.299999999999997 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.54 -33.29 58.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.33 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 65.310000000000002 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 9.1 mt-10 -48.42 -55.72 10.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 73.420000000000002 110.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.4 m -55.48 -38.85 69.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.407 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -56.82 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.310000000000002 109.281 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.53 -16.29 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -87.32 -33.89 19.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 72.120000000000005 111.012 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 35.3 tp -72.48 -64.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -55.72 -19.45 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.519999999999996 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB3' ' NE2' ' A' ' 27' ' ' HIS . . . -63.76 -54.12 40.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 109.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.08 -54.88 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 110.994 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 1.9 t70 -51.9 123.21 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 63.409999999999997 109.295 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t -82.99 -54.34 5.14 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.642 1.687 . . . . 72.329999999999998 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.444 ' OD2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -91.03 10.71 25.58 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.911 -1.043 . . . . 75.540000000000006 109.997 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 37.67 51.93 1.92 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 111.043 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.444 ' CB ' ' OD2' ' A' ' 93' ' ' ASP . 7.7 p30 -79.2 -23.08 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 74.109999999999999 109.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 117.27 2.79 17.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 75.010000000000005 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -130.6 144.16 51.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 72.329999999999998 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mt -129.17 102.87 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.5 109.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -72.9 -162.83 6.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 73.540000000000006 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.64 -38.17 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 73.140000000000001 109.296 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -29.53 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 75.540000000000006 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.12 -44.35 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 110.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CZ ' HD12 ' A' ' 51' ' ' ILE . 55.4 t80 -63.13 -28.97 70.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 74.109999999999999 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.88 -10.65 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.12 -53.93 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 72.540000000000006 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.453 ' HE1' ' CE1' ' A' ' 86' ' ' PHE . 8.0 ptm -51.5 -18.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.239999999999995 111.018 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.52 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 1.2 pt -107.13 -34.85 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 63.450000000000003 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 47.2 tttt -72.54 -13.72 61.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 74.409999999999997 111.069 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.025 -0.361 . . . . 64.040000000000006 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 mtt -90.53 164.62 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.310000000000002 111.0 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . . . -89.21 -54.13 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.5 109.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 6.3 m-85 -54.37 -18.46 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -21.36 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -93.98 -49.38 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 70.219999999999999 110.033 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.89 -63.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 75.040000000000006 109.314 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 36' ' ' LEU . 5.8 mt -111.23 -176.39 2.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 4.1 mptt -72.34 147.71 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 75.409999999999997 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -81.95 -29.27 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 71.120000000000005 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.89 24.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 75.450000000000003 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 46.3 mm-40 -67.52 -57.59 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 74.329999999999998 110.255 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 m -53.54 -34.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 75.219999999999999 109.286 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.2 m -56.91 -48.58 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 72.150000000000006 110.361 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.02 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.53 -25.04 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 74.230000000000004 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 13' ' ' THR . 12.1 mt -76.59 -34.21 58.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 75.519999999999996 109.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.66 -25.37 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 74.430000000000007 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.09 0.41 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.4 p -134.88 22.06 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 72.129999999999995 108.27 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 -15.57 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 73.329999999999998 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -101.29 103.14 14.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 61.549999999999997 109.347 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.62 132.97 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.310000000000002 109.26 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.32 24.26 76.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 2.8 p -132.97 8.59 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 72.310000000000002 109.976 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.0 t80 -83.74 136.9 33.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.400000000000006 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -135.03 96.42 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.409999999999997 109.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 26.8 p-80 -42.07 -59.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 65.099999999999994 109.588 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mmmm -44.13 -45.46 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 74.519999999999996 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 33' ' ' ALA . 17.1 mmtp -64.62 -39.22 93.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 71.019999999999996 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 t80 -59.9 -62.81 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 74.439999999999998 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 107' ' ' ILE . 15.7 m-85 -61.06 -36.7 80.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 75.140000000000001 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.7 tttm -74.82 -20.39 59.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' LYS . . . -79.96 -51.5 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 75.030000000000001 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 t -76.4 -25.66 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 108.324 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 105.07 -11.53 48.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 70.209999999999994 110.994 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 7' ' ' LEU . 3.3 mt -40.21 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 75.120000000000005 109.314 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.6 t -72.91 124.58 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.976 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.61 7.36 71.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -76.21 -171.57 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.486 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 48.5 m -98.03 151.28 20.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 62.329999999999998 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.486 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 86.9 m -64.71 -20.89 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.39 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.16 -54.38 38.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 63.329999999999998 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.9 pt-20 -72.28 -44.43 62.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG1' ' CD1' ' A' ' 107' ' ' ILE . 74.5 t -47.22 -41.68 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 65.010000000000005 109.343 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 41' ' ' THR . 5.0 mtpm? -60.35 -35.75 76.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 70.519999999999996 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.9 mmmm -72.57 -41.52 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.5 72.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 71.239999999999995 109.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 61.7 t80 -64.5 -22.16 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 74.409999999999997 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.12 -16.58 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 63.549999999999997 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.675 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 16.7 mm -69.83 -49.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.329999999999998 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.551 ' CG2' ' ND2' ' A' ' 70' ' ' ASN . 1.6 mp -62.52 -65.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 71.420000000000002 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 82.9 m-20 -40.4 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.341 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.33 -14.69 28.38 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 123.624 1.678 . . . . 74.219999999999999 110.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -120.59 -13.44 8.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.873 -1.06 . . . . 74.329999999999998 109.961 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp 61.27 36.87 17.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 64.430000000000007 109.31 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.428 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.3 p -57.07 -41.89 79.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 141.75 -21.39 2.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 74.140000000000001 111.039 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 36.9 m-85 -147.76 -175.39 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 74.409999999999997 110.981 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 31.0 mt -119.91 77.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.1 mp0 -52.41 158.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 110.238 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -44.73 -36.49 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 71.510000000000005 110.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.7 -39.43 93.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.409999999999997 110.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' GLU . 48.1 mt-10 -69.86 -38.96 76.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 75.450000000000003 110.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.443 ' CD2' HD13 ' A' ' 98' ' ' ILE . 12.6 mt -49.92 -62.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.269 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.98 -21.35 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.3 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.66 27.46 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 109.298 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 23.0 t80 -71.52 -3.57 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.5 mt -100.12 -21.25 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -79.26 1.44 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.286 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.551 ' ND2' ' CG2' ' A' ' 51' ' ' ILE . 0.7 OUTLIER -80.43 -48.69 12.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 73.329999999999998 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 73.0 m-85 -85.53 14.56 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 70.030000000000001 110.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -178.04 141.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 72.530000000000001 109.32 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.18 29.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.09 27.18 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -82.47 175.05 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 65.120000000000005 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' CD ' HD13 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -88.98 -172.93 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 110.323 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.03 145.38 47.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 75.430000000000007 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.5 mm? -70.57 163.15 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 74.230000000000004 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.429 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 46.1 t -74.25 166.54 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 62.140000000000001 110.031 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.68 -25.08 64.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 109.35 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.62 -56.59 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 62.549999999999997 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 10.3 mt-10 -41.58 -48.87 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.519999999999996 110.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.5 m -65.11 -36.73 85.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 64.519999999999996 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.4 mmtt -61.99 -41.98 98.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 72.299999999999997 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -71.27 -42.83 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CD2' ' HE1' ' A' ' 106' ' ' MET . 6.6 t80 -73.58 -11.6 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 110.984 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.8 tp -84.07 -53.73 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.230000000000004 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.02 -33.4 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.510000000000005 109.254 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -50.26 -31.11 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 74.540000000000006 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -115.57 -61.64 0.36 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 42.130000000000003 111.039 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 13.7 t0 -55.2 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 73.140000000000001 109.279 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -64.69 -54.63 28.54 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.651 1.691 . . . . 74.25 109.991 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 102' ' ' GLU . 11.9 p30 -71.01 -14.6 62.4 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.928 -1.034 . . . . 75.140000000000001 109.995 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.58 70.2 0.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 43.520000000000003 111.004 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.5 ' N ' ' HD2' ' A' ' 95' ' ' ASP . 7.6 m-20 -92.77 -14.92 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 64.340000000000003 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 1.49 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 111.025 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -146.2 167.85 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.439999999999998 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.443 HD13 ' CD2' ' A' ' 64' ' ' LEU . 1.7 mt -127.73 107.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 72.420000000000002 109.26 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.81 -162.26 33.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 44.130000000000003 111.041 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -80.29 -38.71 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 73.030000000000001 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -17.01 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 93' ' ' ASP . 60.2 mt-10 -99.89 -40.11 7.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.519999999999996 110.239 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.505 ' CE2' HD13 ' A' ' 51' ' ' ILE . 57.7 t80 -75.95 -26.16 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 72.349999999999994 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.09 -11.14 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 71.019999999999996 109.328 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.26 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.519999999999996 109.264 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.57 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 4.2 ptm -50.32 -19.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 64.420000000000002 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.551 HG21 ' CD1' ' A' ' 31' ' ' PHE . 1.2 pt -106.41 -37.47 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 65.420000000000002 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 19.6 tttm -69.38 -13.9 62.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 72.219999999999999 111.013 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.981 -0.377 . . . . 61.5 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttm 45.95 43.67 10.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 74.120000000000005 110.994 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.109999999999999 109.296 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.68 ' CD1' ' CG2' ' A' ' 50' ' ' ILE . 3.2 m-85 -66.67 -8.56 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -49.18 146.85 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 71.340000000000003 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 1.1 m 84.06 -0.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.34 -61.68 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 109.307 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.120000000000005 109.334 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . 23.4 tttt -79.25 119.41 22.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.150000000000006 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.25 -21.28 63.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 75.239999999999995 109.269 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -16.85 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 62.310000000000002 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 22.3 mm-40 -88.0 -64.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -41.89 -29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 61.329999999999998 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -49.67 -51.03 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 74.140000000000001 110.431 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -60.62 -36.29 78.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 71.120000000000005 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -64.71 -20.86 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 43.350000000000001 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.05 -51.84 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 73.109999999999999 109.291 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.47 -11.46 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 72.439999999999998 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -63.25 -11.41 39.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 65.120000000000005 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -132.78 21.76 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.331 -0.989 . . . . 74.400000000000006 108.331 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -44.08 -46.06 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 122.42 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.285 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.68 121.1 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 60.509999999999998 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 101.73 10.86 39.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 61.030000000000001 110.957 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -133.04 22.56 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 74.439999999999998 110.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 32.1 t80 -78.51 139.2 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -134.18 81.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 75.430000000000007 109.307 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 33.3 p-80 -39.86 -55.3 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 70.430000000000007 109.62 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 35.3 mmtt -47.7 -46.06 29.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.420000000000002 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 16.5 mmtp -61.98 -49.92 74.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 73.519999999999996 109.265 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.7 t80 -47.34 -62.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 75.109999999999999 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.8 m-85 -58.7 -42.77 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 72.219999999999999 111.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.42 -17.4 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -79.28 -62.0 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 63.399999999999999 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -65.47 -15.57 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 71.549999999999997 108.272 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 92.83 -5.3 76.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 75.319999999999993 111.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.430000000000007 109.312 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.3 t -66.83 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 54.32 109.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.1 -7.58 57.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 73.049999999999997 110.944 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -63.15 -178.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 72.239999999999995 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 m -91.71 144.28 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 22.7 m -63.45 -12.49 31.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 110.467 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -71.48 -55.27 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.274 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.3 pt-20 -61.47 -35.41 77.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 74.239999999999995 110.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 107' ' ' ILE . 92.3 t -50.68 -35.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.510000000000005 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' NZ ' ' CG2' ' A' ' 41' ' ' THR . 26.6 mttp -68.9 -31.3 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 74.129999999999995 109.354 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -86.04 -20.62 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 109.285 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 -29.5 27.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 72.109999999999999 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.32 -36.06 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.010000000000005 111.011 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.8 -14.22 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 73.099999999999994 109.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.68 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 31.1 mm -69.0 -62.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 70' ' ' ASN . 1.9 mp -46.52 -59.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 74.319999999999993 109.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' CE ' ' A' ' 55' ' ' LYS . 25.5 m-20 -40.52 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -88.92 -20.25 24.76 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.623 1.677 . . . . 73.230000000000004 110.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 56' ' ' SER . 2.8 p30 -117.77 -11.29 10.36 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.923 -1.037 . . . . 62.329999999999998 110.018 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 27.2 mmtm 58.38 57.07 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.298 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.442 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -81.58 -25.52 35.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 63.539999999999999 109.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.62 -33.84 3.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 62.530000000000001 111.027 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -130.02 178.03 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.540000000000006 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 22.6 mt -116.94 80.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 75.519999999999996 109.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -45.47 170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 73.430000000000007 110.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.18 -39.23 86.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.87 -19.15 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 72.140000000000001 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -89.49 -29.14 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 110.339 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 87' ' ' LEU . 18.7 mt -54.28 -60.22 3.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 70.25 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' CB ' ' OG1' ' A' ' 83' ' ' THR . 13.3 ptmt -51.62 -22.3 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 77' ' ' ALA . 16.1 mt -92.93 27.31 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 71.310000000000002 109.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 30.1 t80 -69.59 -5.84 27.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 67.5 mt -99.11 -17.53 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.420000000000002 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -82.68 1.61 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.305 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.43 -49.06 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.508 ' CZ ' ' CZ ' ' A' ' 3' ' ' PHE . 74.7 m-85 -83.16 11.19 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 111.014 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -177.37 146.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.66 73.3 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 162.31 -26.86 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -39.78 144.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 62.409999999999997 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -57.67 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 72.540000000000006 110.263 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' CD2' ' A' ' 66' ' ' LEU . . . -130.63 125.36 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 62.539999999999999 109.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' ALA . 2.1 mm? -40.18 158.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 109.344 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 t -70.94 -172.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 64.340000000000003 110.046 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.42 -31.87 54.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 72.129999999999995 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.38 -38.58 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.299999999999997 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 25.2 mt-10 -61.99 -46.5 88.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.319999999999993 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.484 ' OG1' ' CB ' ' A' ' 65' ' ' LYS . 66.0 m -70.13 -22.52 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 65.219999999999999 110.382 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -64.81 -58.96 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 74.140000000000001 109.326 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.55 -17.28 62.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 63.329999999999998 109.309 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HE2' ' A' ' 106' ' ' MET . 0.4 OUTLIER -82.76 -39.99 21.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 111.014 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 61.5 tp -60.04 -64.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 72.319999999999993 109.276 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -40.61 73.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 73.319999999999993 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.74 -47.62 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.14 -65.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 75.120000000000005 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 4.5 t0 -65.73 93.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 73.319999999999993 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.0 t -100.65 5.36 43.79 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 123.664 1.697 . . . . 63.130000000000003 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.58 -7.62 21.66 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.903 -1.046 . . . . 64.140000000000001 109.948 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.34 51.11 55.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 70.019999999999996 110.99 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.77 -15.65 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 75.209999999999994 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' N ' ' OD2' ' A' ' 91' ' ' ASP . . . 89.74 -26.84 8.75 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 72.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 13.9 mtmm -108.35 150.58 27.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 73.349999999999994 109.266 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.444 HD11 ' CD2' ' A' ' 64' ' ' LEU . 4.6 mt -115.88 124.53 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -97.99 -162.52 30.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 72.329999999999998 111.002 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER -80.96 -44.05 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 75.099999999999994 109.254 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -59.36 -31.51 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 63.240000000000002 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.4 -46.94 9.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.329 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.3 t80 -59.25 -31.18 68.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 74.439999999999998 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.58 -4.47 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 72.239999999999995 109.259 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.84 -54.4 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 109.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE2' ' CE1' ' A' ' 86' ' ' PHE . 5.4 ptm -52.02 -21.32 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 73.319999999999993 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.491 HG23 ' CG ' ' A' ' 31' ' ' PHE . 15.1 pt -97.2 -43.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 109.284 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -66.96 -16.17 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.239999999999995 109.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 110.97 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.978 -0.378 . . . . 63.119999999999997 109.978 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.14 25.9 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 111.013 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . . . -62.53 -49.98 73.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 75.540000000000006 109.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.69 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 12.8 m-85 -69.06 -8.11 42.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.039 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.71 -15.19 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 64.239999999999995 109.283 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.29 -37.78 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 71.319999999999993 110.011 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.65 -62.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 73.049999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mt -112.38 -176.5 2.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.321 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.42 119.66 30.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 75.430000000000007 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.26 -22.24 6.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.77 -35.54 44.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -72.64 -65.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 m -47.7 -36.77 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 73.530000000000001 109.328 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -54.24 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 110.372 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.32 65.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.120000000000005 109.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.12 -21.93 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.94 -42.34 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.439999999999998 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.04 -15.7 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.35 -4.26 88.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 110.954 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -135.62 25.86 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.002 . . . . 73.519999999999996 108.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -78.15 -15.81 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.37 118.81 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 63.030000000000001 109.294 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.66 152.04 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 48.64 22.68 2.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 74.25 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -127.77 13.72 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 71.120000000000005 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t80 -92.71 141.21 28.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 52.219999999999999 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -134.65 94.95 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 65.120000000000005 109.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 18.9 p-80 -39.92 -62.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 4.9 mmmt -42.63 -55.75 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -49.28 -56.86 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 73.549999999999997 109.323 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 2.1 t80 -41.12 -63.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 74.019999999999996 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 65.6 m-85 -57.41 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 65.239999999999995 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -77.4 -17.26 58.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 109.338 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.15 -62.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 70.109999999999999 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 p -63.69 -20.62 65.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.049999999999997 108.326 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.63 5.6 58.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 13.1 mt -62.02 -16.68 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 75.140000000000001 109.378 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -72.6 -10.5 59.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 109.978 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.44 10.14 3.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 65.200000000000003 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 12.5 mmtt -66.53 174.91 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 74.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -79.06 140.65 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 75.439999999999998 109.988 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -63.3 -12.17 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.71 -53.05 6.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.3 pt-20 -65.41 -39.24 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 64.010000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG2' HD11 ' A' ' 107' ' ' ILE . 50.1 t -47.07 -47.94 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 71.430000000000007 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 49.8 mttm -57.89 -31.88 67.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.9 mmmm -80.54 -22.4 40.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 73.129999999999995 109.261 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -78.31 -40.04 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.25 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -63.16 -20.63 65.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 110.981 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.319999999999993 109.309 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.68 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 11.9 mm -79.93 -56.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 64.319999999999993 109.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -60.87 -56.31 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 62.32 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -40.45 103.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 71.400000000000006 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.9 mt-30 -95.93 -21.2 18.19 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.582 1.658 . . . . 75.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -113.73 -2.98 13.59 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.882 -1.056 . . . . 72.439999999999998 109.973 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt 47.94 43.98 18.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.439999999999998 109.279 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -64.24 -12.0 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 110.014 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 109.17 -26.79 14.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 63.119999999999997 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.4 m-85 -144.32 179.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 74.140000000000001 111.012 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' A' ' 48' ' ' PHE . 96.5 mt -117.32 84.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 74.099999999999994 109.305 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 175.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 110.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG2' ' CG2' ' A' ' 83' ' ' THR . 14.8 tt0 -55.18 -53.27 58.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 110.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -52.69 -23.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.5 110.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.25 -25.82 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.319999999999993 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CB ' HG22 ' A' ' 83' ' ' THR . 15.0 mt -59.05 -51.37 70.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 109.324 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -58.35 -17.42 19.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.510000000000005 109.323 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.92 27.43 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 109.255 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 49.0 t80 -76.91 1.93 16.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 71.129999999999995 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.5 mt -118.08 -7.76 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -88.76 1.55 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 75.329999999999998 110.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.607 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.5 p30 -86.14 -45.29 11.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.519999999999996 109.251 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.3 m-85 -82.99 8.59 12.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 111.009 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.52 159.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.42 31.55 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.311 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.88 24.64 0.49 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 43.299999999999997 111.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -88.63 164.84 15.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 0.717 . . . . 62.539999999999999 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.21 163.12 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.33 147.89 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 64.409999999999997 109.294 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 2.7 mm? -71.28 156.61 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.3 t -67.76 -177.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 64.099999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 4.6 m-20 -71.87 -24.41 61.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.18 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 59.8 mt-10 -57.3 -30.12 64.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.467 HG22 ' CB ' ' A' ' 64' ' ' LEU . 29.8 m -87.96 -15.6 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 71.349999999999994 110.404 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 4.9 mtpm? -77.35 -65.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 75.430000000000007 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ALA . . . -47.3 -42.03 20.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -58.85 -34.25 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.129999999999995 111.007 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.9 tp -68.19 -62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.5 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -19.47 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 70.519999999999996 109.342 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . . . -64.39 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' CA ' ' HE2' ' A' ' 106' ' ' MET . . . -79.95 -48.78 6.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 110.993 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -66.58 85.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.759 . . . . 74.519999999999996 109.345 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.46 5.39 27.58 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 123.652 1.691 . . . . 73.430000000000007 109.997 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -122.0 0.4 9.66 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.923 -1.037 . . . . 74.299999999999997 109.972 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.05 69.94 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 72.510000000000005 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -99.48 -23.04 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 74.510000000000005 109.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.77 -10.43 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 111.033 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.66 166.76 32.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 74.510000000000005 109.255 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.46 127.49 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 65.310000000000002 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.81 -165.46 35.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 60.130000000000003 110.967 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -81.02 -43.91 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 74.430000000000007 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.67 -24.51 61.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 109.285 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -92.26 -49.72 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.319999999999993 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -57.33 -30.23 64.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 55.399999999999999 111.024 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -85.75 -12.87 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.540000000000006 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.09 -50.56 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 62.329999999999998 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.442 ' HE2' ' CA ' ' A' ' 90' ' ' GLY . 5.3 ptm -56.91 -31.59 65.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 65.409999999999997 111.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 104' ' ' ALA . 13.9 pt -83.42 -54.04 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -54.59 -27.53 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 31.010000000000002 111.019 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.966 -0.383 . . . . 75.230000000000004 109.966 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 mtt -140.88 115.4 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 111.014 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.451 ' CB ' HD13 ' A' ' 50' ' ' ILE . . . -81.2 -62.32 1.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 70.400000000000006 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.801 ' CD1' ' CD1' ' A' ' 71' ' ' PHE . 8.4 m-85 -53.81 -19.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.87 -22.71 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 75.230000000000004 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -104.0 -38.25 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.209999999999994 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.6 t -64.67 -62.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 75.150000000000006 109.297 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 10.4 mt -115.12 176.9 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -78.95 116.53 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.51 -15.81 30.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -26.37 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 109.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.17 -66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 m -45.44 -36.7 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -52.65 -58.94 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.25 -29.69 65.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 62.520000000000003 109.324 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 75.540000000000006 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' CD2' HD21 ' A' ' 68' ' ' LEU . 2.6 mt -82.1 -36.41 27.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.35 -15.62 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.25 -7.07 62.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 70.230000000000004 111.022 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.29 29.86 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.249 -1.019 . . . . 74.040000000000006 108.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.0 -46.75 83.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.92 136.71 48.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.21 157.94 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 61.310000000000002 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.09 21.48 17.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 110.993 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 p -132.45 13.18 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 73.340000000000003 109.994 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 3.4 t80 -91.95 136.44 33.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 74.140000000000001 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -134.48 93.02 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 72.129999999999995 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASP . 13.8 p80 -39.87 -60.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 109.567 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 -44.89 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 63.450000000000003 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' ASP . 24.4 mmtp -66.69 -59.23 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.530000000000001 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 22.7 t80 -38.46 -60.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.638 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 18.2 m-85 -49.65 -39.69 37.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.409999999999997 111.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.1 mmmt -76.35 -22.96 54.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 75.019999999999996 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 15' ' ' ALA . . . -81.28 -28.36 34.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 62.520000000000003 109.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 30' ' ' PHE . 3.3 m -95.64 -23.93 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 108.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 99.53 -13.9 60.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.544 1.152 . . . . 63.520000000000003 110.985 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 4.5 mt -44.33 -27.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 74.310000000000002 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -45.63 87.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 71.109999999999999 110.002 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -92.07 8.49 77.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 73.319999999999993 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 20.1 mmtt -77.89 -179.61 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 73.129999999999995 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.8 m -97.16 137.64 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 109.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -26.23 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 65.329999999999998 110.415 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.7 -63.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -61.26 -37.27 82.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 110.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 107' ' ' ILE . 55.8 t -45.2 -43.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 109.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CG ' HD12 ' A' ' 100' ' ' ILE . 25.7 mttm -68.6 -37.2 79.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.2 mmmt -71.79 -20.46 61.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 74.129999999999995 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -85.3 -34.35 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 75.430000000000007 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.5 t80 -63.46 -21.03 66.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 75.230000000000004 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.42 -7.42 58.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 71.420000000000002 109.275 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.678 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 8.2 mm -75.53 -51.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 HG13 ' CB ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -65.28 -63.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 109.234 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.62 92.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 63.149999999999999 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -82.7 -24.38 33.67 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 123.549 1.643 . . . . 72.140000000000001 110.255 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 1.6 p30 -70.82 -40.02 72.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.869 -1.062 . . . . 75.239999999999995 110.004 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.1 OUTLIER 73.94 51.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 71.310000000000002 109.294 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -80.88 -30.73 35.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.409999999999997 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.57 -35.31 2.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 110.996 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -136.53 141.78 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 73.319999999999993 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 7.3 mt -72.07 80.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.33 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' GLU . 37.1 mt-10 -52.78 152.81 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 55.409999999999997 110.323 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' OE1' ' CD2' ' A' ' 87' ' ' LEU . 3.4 tp10 -44.1 -26.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.9 mt-10 -62.29 -52.98 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 74.25 110.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -69.03 -26.29 64.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 74.25 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 87' ' ' LEU . 10.4 mt -56.18 -53.48 56.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.287 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -64.71 -12.46 47.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 109.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.3 mt -101.94 27.32 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 75.120000000000005 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 70.2 t80 -67.73 -7.51 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 70.109999999999999 111.062 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 16' ' ' LEU . 13.7 mt -104.84 -27.26 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 73.6 mt-30 -78.16 1.76 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 64.450000000000003 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' CB ' HG13 ' A' ' 51' ' ' ILE . 7.9 p-10 -78.97 -49.15 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.801 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 95.0 m-85 -85.93 15.16 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.439999999999998 111.001 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 21.2 tttt -177.38 139.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 63.420000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.15 72.41 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 71.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 160.12 -25.79 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 70.239999999999995 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -40.05 143.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 72.150000000000006 109.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.83 167.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.200000000000003 110.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.75 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.325 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -43.92 165.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 74.530000000000001 109.285 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -76.94 -173.26 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 65.5 110.019 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.68 -24.91 58.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -56.6 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 72.349999999999994 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -43.82 -49.14 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.1 m -60.56 -34.31 73.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.120000000000005 110.398 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' ALA . 51.7 mttt -67.55 -41.76 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.05 70.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 73.420000000000002 109.296 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -69.57 -12.72 61.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 73.530000000000001 110.954 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.498 ' CD2' ' OE1' ' A' ' 61' ' ' GLU . 25.8 tp -83.14 -59.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -68.21 -30.81 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.54 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 70.140000000000001 109.325 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.25 -49.84 6.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 55.140000000000001 110.983 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -69.67 115.23 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 74.439999999999998 109.348 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -100.35 -12.56 19.34 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.681 . . . . 74.420000000000002 109.997 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.2 p-10 -100.47 -11.29 20.29 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.875 -1.059 . . . . 75.450000000000003 109.97 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.8 69.34 0.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.947 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -108.6 -21.47 12.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 0.788 . . . . 74.049999999999997 109.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.46 4.08 15.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 63.100000000000001 111.018 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -145.34 152.12 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 74.140000000000001 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 1.4 mt -119.79 119.91 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 109.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.44 -174.57 48.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 74.030000000000001 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -77.8 -36.74 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 74.409999999999997 109.251 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.422 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -71.18 -15.3 62.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 109.271 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -101.95 -35.98 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.5 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 17.8 t80 -80.08 -25.36 40.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.109999999999999 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.04 -11.95 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.51 -53.74 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.568 ' HE1' ' CE1' ' A' ' 86' ' ' PHE . 4.2 ptm -49.15 -20.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 74.120000000000005 111.006 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.638 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 1.4 pt -105.45 -39.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 74.519999999999996 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 16.0 tttp -66.97 -13.98 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 72.230000000000004 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 75.25 110.998 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 1' ' ' MET . 29.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.023 -0.362 . . . . 73.109999999999999 110.023 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 0' ' ' SER . 16.2 ptm 39.09 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 111.01 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 50' ' ' ILE . . . -63.11 -15.14 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.450000000000003 109.311 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.804 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.4 m-85 -77.15 -4.66 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -15.58 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 45.240000000000002 109.251 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -114.86 -37.45 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 63.439999999999998 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.08 -62.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.266 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.504 HD12 ' CE1' ' A' ' 3' ' ' PHE . 8.7 mt -117.35 -177.34 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -87.42 122.71 31.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 74.329999999999998 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.87 -17.79 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -30.67 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.59 -65.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.219999999999999 110.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -44.13 -38.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 63.32 109.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -50.49 -50.73 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 73.129999999999995 110.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.51 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 60.409999999999997 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.95 -20.58 57.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 73.510000000000005 109.287 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.42 -53.13 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 74.150000000000006 109.299 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.84 -16.4 61.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 74.040000000000006 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.06 -3.94 88.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 111.061 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -136.44 25.21 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.012 . . . . 75.120000000000005 108.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -81.56 109.58 16.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.321 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.56 140.28 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.200000000000003 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 59.28 18.3 42.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 111.015 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -123.67 11.57 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 75.140000000000001 110.003 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 8.1 t80 -88.42 144.58 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 110.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.53 152.33 50.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 74.349999999999994 109.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 31.7 p-80 -84.19 -62.78 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.62 -45.9 63.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 72.319999999999993 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' ALA . 31.2 mmtp -46.97 -66.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.409999999999997 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t80 -42.4 -62.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -57.9 -23.61 53.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -86.68 -17.47 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.321 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -84.65 -58.15 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 109.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.5 p -66.34 -26.96 67.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.040000000000006 108.309 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.08 15.88 37.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 42.219999999999999 110.979 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.56 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 74.120000000000005 109.299 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -56.48 114.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 109.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 4.57 54.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 53.229999999999997 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -72.32 -171.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 73.239999999999995 109.339 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.2 m -97.38 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 72.209999999999994 109.983 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 1.5 m -52.68 -20.16 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.129999999999995 110.379 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -65.99 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -62.99 -41.39 99.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.329999999999998 110.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 107' ' ' ILE . 55.3 t -47.95 -33.48 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 73.519999999999996 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' CG ' HD12 ' A' ' 100' ' ' ILE . 18.7 mttp -75.14 -35.55 61.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.332 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 5.9 mmmm -75.41 -21.13 58.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 75.349999999999994 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.6 -29.94 41.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 41.25 109.319 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.511 ' CE2' HG13 ' A' ' 59' ' ' ILE . 24.6 t80 -74.4 -25.5 59.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.25 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -3.61 33.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 74.319999999999993 109.28 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 3' ' ' PHE . 4.7 mt -83.5 -63.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 74.420000000000002 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.3 mp -53.9 -33.69 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 109.32 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 3.3 t0 -70.96 102.06 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 72.409999999999997 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.38 -12.9 12.31 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.667 1.699 . . . . 74.540000000000006 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 7.5 p-10 -105.94 8.26 32.45 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.872 -1.061 . . . . 74.230000000000004 109.981 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.2 mmtp 36.44 53.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 71.239999999999995 109.314 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 p -81.71 -27.09 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 107.93 -5.26 34.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 72.129999999999995 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 15.3 m-85 -159.99 -171.78 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 74.299999999999997 111.003 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.511 HG13 ' CE2' ' A' ' 48' ' ' PHE . 23.2 mt -124.85 75.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 72.400000000000006 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.0 mp0 -54.74 160.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 73.5 110.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -44.61 -32.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.293 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.42 -41.08 80.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 110.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' GLU . 22.6 mt-10 -72.64 -29.12 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 75.510000000000005 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 87' ' ' LEU . 13.1 mt -59.99 -49.69 76.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 74.219999999999999 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -12.36 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 75.299999999999997 109.303 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.07 26.58 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 74.140000000000001 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 86' ' ' PHE . 86.2 t80 -71.15 -4.33 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.5 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.4 mt -105.98 -25.99 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 73.120000000000005 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 37.4 mt-30 -78.25 1.54 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 75.519999999999996 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 p-10 -80.78 -48.99 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 92.6 m-85 -83.79 11.2 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 72.299999999999997 111.021 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 28.4 tptt -174.99 141.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.28 24.18 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.09 20.24 0.96 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 72.540000000000006 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.78 172.74 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 74.030000000000001 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 77' ' ' ALA . 1.4 ppt_? -94.24 179.61 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 72.319999999999993 110.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 76' ' ' ARG . . . -107.03 150.46 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.239999999999995 109.331 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.52 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.9 mm? -73.97 152.6 40.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.283 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' GLU . 29.2 t -60.82 144.95 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 109.977 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.27 -27.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 73.349999999999994 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -85.48 -43.4 13.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 109.297 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 84.1 mt-10 -55.86 -48.38 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.1 m -65.07 -17.97 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.510000000000005 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -42.24 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 71.329999999999998 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.95 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 64.540000000000006 109.307 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' A' ' 67' ' ' PHE . 6.9 t80 -66.1 -17.54 64.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 64' ' ' LEU . 39.7 tp -78.27 -63.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -20.51 62.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 73.150000000000006 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -29.46 69.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 72.409999999999997 109.316 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.92 -71.56 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.972 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' CG ' ' OD2' ' A' ' 93' ' ' ASP . 5.4 t0 -47.0 121.96 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 74.25 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -100.52 -12.47 19.27 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.579 1.656 . . . . 62.329999999999998 109.995 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 10.9 p-10 -101.52 -13.33 17.94 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.886 -1.054 . . . . 74.450000000000003 110.001 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.4 54.39 27.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 74.219999999999999 111.007 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.53 -23.09 16.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 75.409999999999997 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.96 -7.49 16.98 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.469 1.106 . . . . 73.439999999999998 111.0 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -123.87 152.59 42.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 74.510000000000005 109.287 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mt -125.87 107.21 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -165.18 26.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 110.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.26 -38.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 75.409999999999997 109.333 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -69.65 -17.73 63.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 71.099999999999994 109.299 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.17 -39.53 8.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.400000000000006 110.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 42.7 t80 -75.85 -26.15 56.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.77 -10.19 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 74.420000000000002 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.44 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.567 ' HE2' ' CD1' ' A' ' 86' ' ' PHE . 4.5 ptm -49.66 -20.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 75.299999999999997 110.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 44' ' ' VAL . 2.0 pt -104.96 -38.04 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.275 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 45.1 tttt -68.77 -13.77 62.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 70.120000000000005 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 73.319999999999993 110.996 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.997 -0.372 . . . . 71.340000000000003 109.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tpt -68.09 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 110.975 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.68 -44.96 12.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 70.430000000000007 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.9 m-85 -53.15 -19.88 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 111.006 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.38 -21.84 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 51.530000000000001 109.314 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -99.41 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 64.5 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.7 t -63.88 -62.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 75.25 109.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 3' ' ' PHE . 13.0 mt -106.29 -176.83 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.319999999999993 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 ttmp? -89.12 121.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.319 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.2 p30 -47.88 -27.43 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.519999999999996 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.15 -40.28 46.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 64.510000000000005 109.272 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LYS . 35.3 mm-40 -65.68 -54.54 26.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.299999999999997 110.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' ALA . 3.1 m -61.02 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 72.430000000000007 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -46.54 -52.0 14.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 73.400000000000006 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.85 65.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 74.340000000000003 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.3 -25.09 60.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 70.200000000000003 109.251 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.31 -30.52 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.253 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.73 -15.9 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 71.099999999999994 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.81 -17.19 52.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -126.89 23.82 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.307 -0.998 . . . . 63.5 108.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -73.01 -41.99 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 73.25 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 158.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 64.040000000000006 109.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.4 155.59 27.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.31 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 42.97 27.32 0.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 62.240000000000002 110.971 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -128.87 11.47 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 64.140000000000001 110.012 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 t80 -86.29 122.99 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 111.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.61 91.66 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.327 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 4.2 p80 -40.08 -61.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 64.019999999999996 109.569 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -40.49 -49.47 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 74.439999999999998 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -60.44 -54.21 48.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 1.4 t80 -42.62 -63.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.659 ' CD1' ' CG2' ' A' ' 107' ' ' ILE . 12.5 m-85 -56.82 -36.78 70.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.519999999999996 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -71.15 -21.1 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 75.129999999999995 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.31 -61.92 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.239999999999995 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 9.1 p -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.48 -14.07 60.96 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 75.010000000000005 111.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 11.8 mt -40.24 -30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 73.239999999999995 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.9 t -70.09 98.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.399999999999999 109.969 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.68 0.95 36.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 75.109999999999999 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -61.5 -176.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 73.540000000000006 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.64 137.86 34.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 70.530000000000001 109.998 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -59.13 -15.22 13.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.371 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.86 -56.24 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.26 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.3 pt-20 -63.74 -43.96 94.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 107' ' ' ILE . 61.9 t -41.86 -43.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.299999999999997 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 24.4 mttt -62.35 -46.42 88.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 73.019999999999996 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.6 mtmm -68.08 -20.53 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 109.339 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.99 -17.78 36.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 72.099999999999994 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.546 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 38.5 t80 -85.4 -34.24 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -10.41 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.571 HD12 ' CE2' ' A' ' 3' ' ' PHE . 6.5 mt -68.84 -63.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.430000000000007 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.7 mp -48.85 -58.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 75.510000000000005 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -40.46 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 70.549999999999997 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -88.75 -16.81 31.25 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.662 1.696 . . . . 64.420000000000002 110.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 8.3 p-10 -117.56 -20.82 8.85 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.918 -1.039 . . . . 75.120000000000005 110.003 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm 69.86 31.87 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.308 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 p -50.86 -24.25 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 65.150000000000006 109.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 119.0 -20.95 9.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 74.25 111.041 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 25.2 m-85 -143.64 -179.13 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 73.129999999999995 110.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.541 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 15.3 mt -119.31 77.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 74.310000000000002 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.9 mp0 -49.66 159.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.200000000000003 110.342 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLY . 27.9 tt0 -44.51 -44.78 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -58.88 -38.84 79.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 110.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' GLU . 18.6 mt-10 -65.65 -40.48 92.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 98' ' ' ILE . 20.4 mt -52.0 -48.01 64.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 83' ' ' THR . 0.0 OUTLIER -60.23 -22.22 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 70.129999999999995 109.329 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 mt -93.52 27.41 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 71.409999999999997 109.254 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 25' ' ' PHE . 59.9 t80 -74.88 -0.46 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.019999999999996 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.3 mt -105.33 -27.03 11.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -78.75 1.59 22.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 7.7 p-10 -79.35 -48.48 13.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 73.5 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 95.6 m-85 -86.23 14.7 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 73.340000000000003 110.999 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 8.2 ttmt -176.86 139.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 74.040000000000006 109.303 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.88 14.11 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 74.010000000000005 109.3 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.41 28.63 1.93 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 111.025 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -81.09 -174.37 4.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 64.340000000000003 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -105.57 -170.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 74.219999999999999 110.298 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 72.230000000000004 109.255 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.4 mm? -69.41 151.59 45.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 73.420000000000002 109.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 147.36 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 109.983 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.58 -33.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -78.69 -52.75 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.349999999999994 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 92.3 mt-10 -46.09 -44.87 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 71.230000000000004 110.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 88.4 m -69.93 -27.21 64.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 72.450000000000003 110.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ALA . 11.2 mtmt -71.49 -44.88 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 109.294 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -68.09 -46.58 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 61.200000000000003 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CE1' ' CE ' ' A' ' 106' ' ' MET . 6.4 t80 -70.15 -13.14 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' THR . 18.9 tp -84.1 -62.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -63.98 -29.78 70.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -61.44 -29.46 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 74.040000000000006 109.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.5 -68.32 0.66 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 111.042 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 87' ' ' LEU . 6.8 t0 -56.24 105.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 72.540000000000006 109.24 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -74.56 -30.29 61.67 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.635 1.683 . . . . 74.299999999999997 110.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 14.9 p-10 -89.56 -10.92 44.32 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.883 -1.056 . . . . 62.450000000000003 109.956 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 44.19 55.83 5.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 63.109999999999999 110.999 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -93.22 -22.94 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.769 . . . . 73.299999999999997 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 123.64 -13.97 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 65.019999999999996 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -121.33 143.41 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 74.329999999999998 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 64' ' ' LEU . 2.6 mt -119.28 104.72 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.540000000000006 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -74.8 -163.67 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 72.420000000000002 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -82.7 -46.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 73.329999999999998 109.253 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -56.03 -28.5 57.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.5 109.301 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -91.64 -48.05 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.258 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 47.3 t80 -59.63 -25.48 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.5 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.87 -10.15 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 70.510000000000005 109.292 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.05 -54.01 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 71.530000000000001 109.266 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.558 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.6 ptm -51.88 -18.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 64.010000000000005 111.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.659 ' CG2' ' CD1' ' A' ' 31' ' ' PHE . 1.3 pt -106.97 -34.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 74.319999999999993 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 51.2 tttt -71.57 -15.31 62.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.200000000000003 109.284 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 65.340000000000003 111.03 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.491 ' N ' ' N ' ' A' ' 73' ' ' ALA . 15.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.007 -0.368 . . . . 72.400000000000006 110.007 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmm -107.78 73.01 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 75.400000000000006 111.046 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.33 -34.71 16.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 73.299999999999997 109.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.788 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.2 m-85 -71.0 -6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.004 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.84 -14.83 37.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 53.409999999999997 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -49.08 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 110.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.94 -62.92 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 64.319999999999993 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 34' ' ' CYS . 2.5 mt -110.24 174.55 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 63.530000000000001 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.24 132.82 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' THR . 52.5 m-20 -53.08 -38.02 62.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 64.319999999999993 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.2 87.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 54.350000000000001 109.284 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.92 -61.47 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 75.530000000000001 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 8.9 m -56.58 -34.79 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.209999999999994 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -50.78 -44.88 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.366 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.04 65.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 72.530000000000001 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.99 -21.19 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 74.109999999999999 109.341 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -30.92 22.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 70.230000000000004 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.95 -28.32 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 64.030000000000001 109.296 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 44.219999999999999 111.002 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -126.12 24.15 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.304 -0.999 . . . . 71.239999999999995 108.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -73.8 -22.74 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 71.510000000000005 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.57 139.87 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 63.130000000000003 109.315 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.42 139.54 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 109.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.75 18.47 56.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.977 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 p -111.77 -21.14 11.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 73.319999999999993 109.945 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 1.5 t80 -53.62 136.38 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 65.400000000000006 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 12.4 t0 -138.86 94.08 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 62.399999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CE1' ' CB ' ' A' ' 89' ' ' ALA . 29.9 p-80 -43.8 -56.69 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.409999999999997 109.624 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 10.7 ptmt -40.7 -47.72 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 75.340000000000003 109.313 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 7.2 mmpt? -66.05 -57.3 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 62.310000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 4.5 t80 -39.61 -63.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 74.140000000000001 110.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 9.0 m-85 -51.64 -35.54 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 73.540000000000006 111.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -77.47 -22.23 51.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.15 -61.88 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 65.239999999999995 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 7.5 p -61.85 -20.14 63.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.010000000000005 108.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.04 -10.32 60.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 60.409999999999997 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -40.21 -30.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.239999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.6 p -71.8 114.48 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 64.420000000000002 110.026 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.91 -16.35 60.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -54.8 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 73.349999999999994 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -97.92 138.07 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.998 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 m -53.38 -19.65 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.25 110.402 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -62.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.2 pt-20 -58.7 -43.18 89.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 74.030000000000001 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 107' ' ' ILE . 56.1 t -40.47 -50.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.430000000000007 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 19.2 mttt -61.25 -52.57 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 72.420000000000002 109.299 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -57.67 -20.48 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.33 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.1 -37.91 18.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 74.420000000000002 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 59' ' ' ILE . 9.0 t80 -66.26 -20.9 66.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.15 -5.86 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.696 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 12.0 mm -75.86 -53.68 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 72.299999999999997 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.67 -65.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 109.339 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -40.16 103.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 74.140000000000001 109.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -89.13 -15.12 34.61 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 123.634 1.683 . . . . 74.310000000000002 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.8 p-10 -118.52 -3.03 10.93 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.925 -1.036 . . . . 75.129999999999995 109.994 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 41.86 38.08 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 73.430000000000007 109.302 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.0 p -53.6 -20.11 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 73.409999999999997 109.963 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.99 -25.86 6.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 64.400000000000006 111.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 39.5 m-85 -146.11 164.54 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.140000000000001 111.008 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 48' ' ' PHE . 57.1 mt -98.6 85.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 71.230000000000004 109.301 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -57.49 160.45 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 110.337 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLY . 14.0 tm-20 -47.17 -49.79 21.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 63.200000000000003 110.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -28.64 61.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 72.349999999999994 110.269 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -83.0 -32.51 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.5 110.346 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 10.0 mt -55.34 -50.75 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 73.540000000000006 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -58.46 -17.25 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 73.430000000000007 109.361 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.75 27.46 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 73.329999999999998 109.28 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.583 ' CG ' ' CE2' ' A' ' 86' ' ' PHE . 25.2 t80 -74.08 -1.16 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.7 mt -118.02 -7.8 10.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 75.030000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.05 1.56 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.6 p30 -85.15 -45.78 11.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 52.3 m-85 -81.72 4.34 22.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 111.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 4.3 tppp? -175.17 151.45 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 72.349999999999994 109.259 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.491 ' N ' ' N ' ' A' ' 0' ' ' SER . . . -101.39 22.83 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.07 18.82 1.21 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 74.5 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -86.5 140.61 29.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 73.310000000000002 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 25' ' ' PHE . 13.8 ptt180 -50.41 -178.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 75.209999999999994 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.99 122.68 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.257 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.73 134.24 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.510000000000005 109.301 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.5 t -60.62 167.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 109.999 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -19.31 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.312 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.16 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.030000000000001 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -46.47 -43.63 16.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.530000000000001 110.258 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.7 m -66.15 -29.66 70.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.392 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ALA . 45.3 mttt -71.2 -41.67 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -65.89 -48.98 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CE2' ' CG ' ' A' ' 67' ' ' PHE . 8.1 t80 -66.23 -15.67 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 72.140000000000001 111.017 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 62.3 tp -84.08 -56.92 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -72.0 -19.92 61.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.561 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . . . -62.21 -39.92 94.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.340000000000003 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.39 -55.17 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 53.32 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 4.5 t0 -56.78 100.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 75.120000000000005 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -94.1 5.55 51.37 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.666 1.698 . . . . 74.430000000000007 110.04 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.79 4.98 8.79 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.938 -1.03 . . . . 72.109999999999999 109.979 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.19 69.99 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 64.109999999999999 111.013 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -111.77 6.97 20.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 75.349999999999994 109.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 72.85 2.51 57.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 73.299999999999997 111.025 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 58' ' ' PHE . 7.7 mtpt -133.92 157.11 46.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 75.540000000000006 109.341 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.407 HD11 ' CD2' ' A' ' 64' ' ' LEU . 2.4 mt -127.91 105.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 74.040000000000006 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.15 -165.54 15.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.986 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.89 -37.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 74.439999999999998 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -23.88 65.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 13.5 mt-10 -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 40.1 t80 -68.98 -30.49 68.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.012 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.26 -7.54 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.120000000000005 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.09 -55.32 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 74.450000000000003 109.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.563 ' HE2' ' CD1' ' A' ' 86' ' ' PHE . 4.7 ptm -48.45 -22.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 74.219999999999999 111.022 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.595 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 4.0 pt -102.17 -40.88 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 29.1 ttpt -64.78 -15.39 61.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 74.439999999999998 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 110.997 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 2' ' ' ALA . 14.1 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.983 -0.377 . . . . 73.430000000000007 109.983 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -65.46 73.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 64.319999999999993 110.982 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.455 ' CB ' HD13 ' A' ' 50' ' ' ILE . . . -89.12 -43.05 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.678 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 8.9 m-85 -53.72 -19.0 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.400000000000006 111.013 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.73 -20.81 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.340000000000003 109.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.65 -49.7 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 70.530000000000001 109.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.21 -62.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 74.010000000000005 109.299 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 4.7 mt -99.64 -176.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 25.4 tptt -90.06 121.29 32.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 74.109999999999999 109.351 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -46.71 -38.59 10.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 75.420000000000002 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.42 81.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 54.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 23.9 mt-10 -65.73 -58.19 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 74.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.19 -37.63 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 109.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.2 m -50.72 -53.79 28.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 62.420000000000002 110.386 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -27.82 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 75.299999999999997 109.304 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . . . -72.65 -29.75 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.349999999999994 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 mt -77.58 -46.24 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 73.140000000000001 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -70.76 -32.14 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.68 -12.77 35.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.83 31.03 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 73.329999999999998 108.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -65.25 -16.05 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 72.510000000000005 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 170.67 8.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.88 137.64 41.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 61.409999999999997 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.8 -8.88 64.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 63.32 110.993 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.6 p -102.85 17.67 23.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.329999999999998 110.036 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.5 t80 -92.59 128.74 38.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.409999999999997 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.7 t0 -136.17 95.09 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.501 ' NE2' ' CB ' ' A' ' 89' ' ' ALA . 46.3 p-80 -40.05 -58.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 109.652 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -40.53 -51.48 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 24.6 mmtp -61.98 -60.56 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.099999999999994 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -39.22 -63.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 111.02 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 45.4 m-85 -58.76 -26.9 64.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 75.200000000000003 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.1 mttt -79.76 -21.4 44.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.150000000000006 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.33 -61.9 1.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 62.32 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -62.62 -19.39 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 63.439999999999998 108.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 97.37 -6.88 63.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.137 . . . . 74.049999999999997 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 HD12 ' CE1' ' A' ' 3' ' ' PHE . 9.7 mt -40.49 -29.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 55.149999999999999 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 35' ' ' GLY . 2.5 p -66.35 -52.57 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 63.140000000000001 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.8 2.42 88.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 63.210000000000001 111.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -69.01 177.72 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -87.91 137.91 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.25 109.976 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -56.69 -17.07 7.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 63.520000000000003 110.394 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -68.97 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.7 pt-20 -54.46 -39.92 67.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 110.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 104' ' ' ALA . 79.2 t -42.9 -49.74 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.319999999999993 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -55.94 -41.7 75.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 75.25 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.0 mtpt -68.11 -30.63 69.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 73.519999999999996 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.44 74.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 48' ' ' PHE . 2.8 t80 -55.79 -22.84 26.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.57 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 73.439999999999998 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.678 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.2 mm -51.64 -55.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.299999999999997 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -66.59 -70.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 72.109999999999999 109.309 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.84 103.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -77.26 -12.98 60.01 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.634 1.683 . . . . 73.219999999999999 110.315 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.498 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 2.5 p30 -119.14 -34.13 3.95 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.891 -1.052 . . . . 74.310000000000002 109.985 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CD ' ' C ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 67.13 56.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 74.319999999999993 109.32 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -71.62 -22.9 61.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 74.549999999999997 110.008 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.25 -26.65 3.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 60.509999999999998 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.78 158.08 44.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 74.239999999999995 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 mt -95.86 82.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 72.549999999999997 109.276 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 156.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.25 110.298 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -48.89 -25.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.52 -39.79 81.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 110.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 66' ' ' LEU . 5.4 mt-10 -73.44 -39.13 65.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 12.2 mt -48.96 -46.37 43.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 74.200000000000003 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.9 -27.34 67.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 75.349999999999994 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 11.5 mt -92.89 26.73 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -70.68 -4.9 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.349999999999994 110.964 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -103.8 -21.06 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 75.430000000000007 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -79.44 1.69 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 110.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 51' ' ' ILE . 10.1 p-10 -81.33 -46.41 14.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE2' ' CZ ' ' A' ' 30' ' ' PHE . 21.7 m-85 -83.0 8.92 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 70.25 110.983 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 10.2 tttm -177.78 143.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 70.439999999999998 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.77 31.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.306 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.94 27.46 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.99 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -83.93 172.24 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 65.310000000000002 109.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -76.75 -172.81 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 74.299999999999997 110.295 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.41 122.52 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm? -48.38 166.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -100.53 173.69 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.219999999999999 109.979 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -58.3 -18.28 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.328 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.13 -66.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -46.81 -54.53 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 110.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -56.15 -33.53 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.129999999999995 110.403 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 10.8 mtpt -68.95 -41.22 78.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.25 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.25 -35.25 77.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.317 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.495 ' CD2' ' HE3' ' A' ' 106' ' ' MET . 7.1 t80 -84.47 -17.99 37.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.999 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 58.3 tp -81.54 -49.99 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 73.150000000000006 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -21.52 63.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . . . -60.58 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 75.200000000000003 109.261 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 -64.43 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 55.299999999999997 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 3.8 t0 -45.01 121.49 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 64.510000000000005 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.43 -54.32 3.43 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.629 1.681 . . . . 73.420000000000002 110.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.07 10.76 11.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.903 -1.046 . . . . 63.350000000000001 110.023 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 38.15 69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 34.299999999999997 111.024 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -103.79 15.38 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 70.450000000000003 109.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.23 13.32 76.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 55.509999999999998 111.048 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -143.93 151.87 40.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.129999999999995 109.264 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.07 114.93 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.519999999999996 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.83 176.07 54.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 111.012 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -38.27 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 75.019999999999996 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -22.5 66.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.74 -29.6 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 72.319999999999993 110.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -80.07 -26.78 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' A' ' 44' ' ' VAL . . . -85.89 -15.1 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 72.420000000000002 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.52 -51.07 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 65.409999999999997 109.315 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.495 ' HE3' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.51 -18.18 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 44' ' ' VAL . 27.3 pt -101.03 -45.51 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 71.5 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.41 60.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 75.409999999999997 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 63.039999999999999 111.014 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.005 -0.368 . . . . 74.040000000000006 110.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' CB ' ' A' ' 4' ' ' ALA . 2.8 ptm -134.33 -178.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 110.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 54.140000000000001 109.319 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.59 ' CD1' ' CG2' ' A' ' 50' ' ' ILE . 8.0 m-85 -58.73 -15.07 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.430000000000007 110.985 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.42 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -53.71 -20.75 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -94.12 -43.93 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 74.329999999999998 109.971 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.62 -62.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 70.310000000000002 109.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.27 -176.56 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 123.92 33.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.316 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -62.47 -15.87 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.239999999999995 109.299 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.11 -19.16 32.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 74.310000000000002 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' THR . 46.5 mt-10 -87.79 -65.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 74.349999999999994 110.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 15' ' ' ALA . 32.9 m -44.34 -28.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -45.6 -51.03 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 73.510000000000005 110.379 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.86 -31.45 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 64.340000000000003 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.599 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.38 -24.18 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.58 -33.69 23.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.77 -17.46 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 74.400000000000006 109.268 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -70.39 -5.04 53.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 73.019999999999996 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 p -137.67 22.26 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 74.109999999999999 108.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -56.97 -20.18 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 72.519999999999996 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 147.88 22.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.5 155.29 31.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.357 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.83 23.14 2.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 62.140000000000001 111.039 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.2 19.42 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.340000000000003 110.031 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.429 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 16.6 t80 -85.27 136.37 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 110.991 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 70.8 m-20 -126.76 111.65 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 65.519999999999996 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.619 ' CD2' ' N ' ' A' ' 28' ' ' LYS . 2.9 p-80 -66.39 -58.15 5.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.581 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.619 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 13.7 ptmt -44.12 -48.75 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 73.519999999999996 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 1.5 mptt -61.47 -51.83 67.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 74.040000000000006 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE2' ' CD2' ' A' ' 68' ' ' LEU . 1.6 t80 -44.68 -64.2 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.983 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.7 m-85 -47.84 -28.34 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 111.012 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLY . 4.3 tmtt? -75.16 -61.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 63.43 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.11 23.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.209999999999994 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' CG1' ' A' ' 12' ' ' VAL . 1.7 m -87.92 -24.79 23.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 73.340000000000003 108.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . 98.21 -19.28 55.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 63.109999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt -45.56 -56.0 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 75.409999999999997 109.249 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t -58.23 102.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 110.048 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.67 -26.71 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 51.539999999999999 110.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.52 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 73.329999999999998 109.298 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -89.02 138.18 31.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 64.439999999999998 109.994 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -58.16 -16.02 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.48 -60.69 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.318 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.8 pt-20 -58.7 -39.31 80.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 110.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG2' HD11 ' A' ' 107' ' ' ILE . 36.6 t -40.33 -48.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 75.409999999999997 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 43.5 mttt -60.03 -47.3 86.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.340000000000003 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.3 mtpt -64.0 -20.61 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 109.326 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.45 -33.92 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 109.272 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 59' ' ' ILE . 28.7 t80 -67.59 -20.71 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.543 ' CB ' ' NZ ' ' A' ' 55' ' ' LYS . . . -85.78 -3.57 58.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 75.319999999999993 109.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.59 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 11.4 mm -83.37 -54.28 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 75.219999999999999 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mt -65.36 -45.51 93.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 75.409999999999997 109.356 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' CZ ' ' A' ' 48' ' ' PHE . 2.7 m-20 -66.35 103.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.430000000000007 109.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -97.23 -12.84 22.49 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.657 1.694 . . . . 71.420000000000002 110.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 11.5 p30 -104.61 -10.65 17.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.901 -1.047 . . . . 72.319999999999993 109.992 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' NZ ' ' CB ' ' A' ' 49' ' ' ALA . 3.8 mmmt 40.03 52.66 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 73.340000000000003 109.322 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -31.06 51.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 71.409999999999997 110.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.09 -55.65 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 110.949 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -126.73 138.84 53.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 73.099999999999994 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 48' ' ' PHE . 86.8 mt -75.74 91.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -60.59 161.39 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 74.120000000000005 110.281 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.35 -25.99 11.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 110.279 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -73.88 -31.28 63.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -88.58 -12.93 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 72.109999999999999 110.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 98' ' ' ILE . 8.8 mt -66.46 -48.22 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -14.59 33.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.71 27.45 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.305 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 87.6 t80 -76.88 1.82 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 72.310000000000002 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.611 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 33.6 mt -117.98 -7.82 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 74.230000000000004 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 80.6 mt-30 -88.96 1.68 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.299999999999997 110.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.7 p30 -84.81 -45.63 12.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 73.25 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 70' ' ' ASN . 52.3 m-85 -81.57 5.57 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 74.5 111.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 2.3 ttmt 179.51 158.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.57 25.49 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.92 13.83 2.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 53.140000000000001 111.011 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -87.49 141.99 28.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 64.010000000000005 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.86 -173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 73.019999999999996 110.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -128.28 126.68 41.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 109.293 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.8 mm? -46.94 145.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 81' ' ' ALA . 26.8 t -65.78 149.84 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 110.034 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.67 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 75.230000000000004 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -81.68 -56.26 4.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.69 -26.05 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -87.22 -28.97 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 75.420000000000002 110.41 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' ALA . 25.1 mttp -57.95 -49.32 77.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -70.13 -16.3 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 73.409999999999997 109.29 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -84.95 -19.98 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.239999999999995 111.005 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 64' ' ' LEU . 57.4 tp -83.75 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 72.329999999999998 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -57.68 -18.94 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -63.94 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 75.310000000000002 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -87.11 -49.0 4.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 73.010000000000005 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' LEU . 24.8 t0 -60.21 84.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -72.62 -54.65 8.51 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.657 1.694 . . . . 63.32 110.026 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 6.9 p30 -60.47 -21.24 62.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.923 -1.037 . . . . 65.209999999999994 109.996 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 48.12 70.25 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 60.130000000000003 110.99 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.3 -17.74 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 73.329999999999998 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.441 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 121.73 5.36 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 111.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 5.8 mtmm -150.82 -179.47 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 71.099999999999994 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.473 HD13 ' CD2' ' A' ' 64' ' ' LEU . 2.2 mt -135.3 107.07 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.150000000000006 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.22 -162.42 35.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.569 1.168 . . . . 73.439999999999998 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.44 -51.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 73.200000000000003 109.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.1 -27.88 15.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.305 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 32.0 mt-10 -88.31 -45.28 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 110.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' MET . 46.5 t80 -59.22 -29.64 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.200000000000003 110.958 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . . . -86.63 -7.19 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.310000000000002 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.17 -54.63 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.512 ' HE3' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.08 -22.96 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 71.319999999999993 111.044 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.507 HG22 ' CG ' ' A' ' 31' ' ' PHE . 20.2 pt -96.55 -43.65 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.51 -18.0 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 70.109999999999999 111.013 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 2' ' ' ALA . 11.1 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.051 -0.351 . . . . 73.239999999999995 110.051 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptp -43.73 95.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 70.329999999999998 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.459 ' CB ' ' CD1' ' A' ' 50' ' ' ILE . . . -79.43 -45.22 19.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 73.239999999999995 109.304 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.662 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 7.5 m-85 -52.84 -19.61 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 110.957 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.16 -21.26 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.109999999999999 109.287 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -98.62 -45.22 6.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 71.530000000000001 109.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.66 -62.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.261 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 3' ' ' PHE . 2.4 mt -105.87 -177.23 3.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 75.230000000000004 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -85.92 128.92 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 75.109999999999999 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.14 -33.01 62.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 72.099999999999994 109.343 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.05 -23.55 55.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.1 mt-10 -79.04 -51.17 9.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 71.209999999999994 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' CG1' ' SG ' ' A' ' 34' ' ' CYS . 12.2 m -68.31 -33.09 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 72.340000000000003 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -54.58 -50.6 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 110.38 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -19.63 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.030000000000001 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -86.72 -28.91 22.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -75.06 -34.05 61.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 64.340000000000003 109.333 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.35 -20.19 32.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 109.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -8.2 48.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.011 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 3.9 m -136.56 27.91 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.281 -1.007 . . . . 72.349999999999994 108.281 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -55.75 -45.21 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 74.109999999999999 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.02 -174.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 65.430000000000007 109.272 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.93 133.48 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 63.240000000000002 109.254 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.13 -14.67 52.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 64.540000000000006 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -6.93 57.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 72.129999999999995 110.039 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 78' ' ' LEU . 56.2 t80 -52.37 125.05 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 65.319999999999993 111.001 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -129.71 82.15 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.439999999999998 109.338 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 86' ' ' PHE . 11.0 p-80 -40.04 -62.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.540000000000006 109.563 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 10.7 pttp -40.79 -52.54 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 28.4 mmtp -56.16 -45.34 79.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 t80 -53.23 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 74.200000000000003 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 85.1 m-85 -58.53 -29.03 66.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 71.5 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.12 -19.22 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 75.030000000000001 109.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.13 -57.8 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 75.140000000000001 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' CG1' ' A' ' 12' ' ' VAL . 7.8 t -65.32 -26.9 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 73.230000000000004 108.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 103.99 -5.57 46.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 71.239999999999995 111.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 6.8 mt -45.57 -28.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 74.140000000000001 109.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 p -66.0 -43.44 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 71.200000000000003 109.984 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -93.38 6.58 75.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 54.049999999999997 110.981 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 19.4 mmtt -73.38 -178.82 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 72.430000000000007 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -97.52 137.86 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.109999999999999 109.979 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.481 ' CG2' ' NZ ' ' A' ' 45' ' ' LYS . 18.4 m -53.57 -19.52 3.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 63.200000000000003 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -63.27 -60.07 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 70.409999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 47' ' ' ALA . 5.9 pt-20 -61.99 -38.28 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 70.400000000000006 110.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 107' ' ' ILE . 70.9 t -42.66 -48.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' NZ ' ' CG2' ' A' ' 41' ' ' THR . 22.5 mttp -58.03 -46.38 85.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -67.82 -20.72 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.25 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.95 -33.02 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 53.109999999999999 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' HG13 ' A' ' 59' ' ' ILE . 39.5 t80 -62.79 -21.87 66.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 75.239999999999995 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -18.16 35.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 73.049999999999997 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.662 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.3 mm -64.92 -48.83 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.340000000000003 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -76.6 -66.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 71.340000000000003 109.268 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -40.01 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 63.340000000000003 109.271 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.4 mt-30 -94.26 -50.9 5.05 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.62 1.676 . . . . 74.530000000000001 110.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 13.2 p30 -62.47 -28.47 69.85 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.888 -1.054 . . . . 75.030000000000001 109.994 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 10.3 mmmm 69.28 23.92 6.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.304 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.41 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 64.049999999999997 109.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.24 -23.55 35.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 74.049999999999997 111.012 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.61 120.77 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 63.409999999999997 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.4 mt -70.34 92.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' GLU . 11.2 mt-10 -65.01 160.58 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 63.32 110.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -45.09 -33.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.8 -39.1 84.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 110.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' GLU . 9.6 mt-10 -68.2 -40.11 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 71.439999999999998 110.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 98' ' ' ILE . 35.2 mt -54.58 -48.28 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 73.420000000000002 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 13.6 ttmt -60.67 -16.04 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.8 27.17 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 109.27 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 33.5 t80 -71.33 -4.13 24.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 70.530000000000001 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -103.95 -21.96 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 55.0 mt-30 -78.61 2.01 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 60.439999999999998 110.292 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 9.4 p-10 -81.3 -48.16 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 75.329999999999998 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 30' ' ' PHE . 22.3 m-85 -80.71 6.53 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.120000000000005 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 18.9 tptt -175.36 143.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.3 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.9 23.03 3.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.73 19.42 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 63.25 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.82 167.45 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 72.329999999999998 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.7 ptt180 -79.84 -170.65 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 73.409999999999997 110.317 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.85 51.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.230000000000004 109.335 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 25' ' ' PHE . 2.1 mm? -55.97 163.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.5 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 33.2 t -76.91 158.74 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -53.5 -23.22 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.27 -56.79 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 64.409999999999997 109.33 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 5.7 mt-10 -43.76 -48.3 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.519999999999996 110.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 59.7 m -61.03 -33.6 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 75.040000000000006 110.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.65 -41.84 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 72.450000000000003 109.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.15 -32.44 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 71.239999999999995 109.269 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.652 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 5.6 t80 -89.15 -13.6 38.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.340000000000003 111.058 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 83' ' ' THR . 25.8 tp -84.21 -45.1 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 74.450000000000003 109.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.85 -33.76 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 71.200000000000003 109.246 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.6 -47.7 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 70.530000000000001 109.316 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.92 -55.82 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.089 . . . . 64.329999999999998 110.998 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.1 t0 -70.94 113.81 8.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 70.209999999999994 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -100.63 -31.88 11.02 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.010000000000005 109.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 13.3 p-10 -75.16 -12.59 60.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.891 -1.052 . . . . 62.340000000000003 109.976 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 49.36 58.9 7.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 110.994 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -98.78 -23.11 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 74.129999999999995 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.58 -5.97 18.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 72.349999999999994 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -134.41 165.03 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 74.120000000000005 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.464 ' CD1' HD12 ' A' ' 64' ' ' LEU . 2.3 mt -128.98 108.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.69 -168.91 16.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 71.120000000000005 110.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.56 -51.95 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 74.120000000000005 109.339 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -50.43 -28.39 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.318 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.16 -44.33 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.305 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 28.2 t80 -58.84 -31.51 68.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -86.7 -5.64 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 73.519999999999996 109.253 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -83.67 -54.37 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 63.350000000000001 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.568 ' HE1' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.29 -21.96 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 64.310000000000002 111.032 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.514 HG21 ' CG ' ' A' ' 31' ' ' PHE . 17.5 pt -96.96 -43.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.329999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -63.33 -20.62 65.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 63.229999999999997 110.979 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.979 -0.378 . . . . 70.340000000000003 109.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp -61.17 85.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 72.239999999999995 111.031 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HB3' ' CD1' ' A' ' 50' ' ' ILE . . . -74.88 -43.21 55.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 72.019999999999996 109.312 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.779 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 10.3 m-85 -59.27 -14.84 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 111.024 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.56 -22.37 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.540000000000006 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 m -101.18 -39.06 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.72 -62.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 71.510000000000005 109.328 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 7.7 mt -110.39 178.22 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.253 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 tppp? -79.87 119.27 22.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -49.51 -29.04 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.200000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.28 55.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 74.010000000000005 109.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mm-40 -70.58 -60.59 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 74.400000000000006 110.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 3.3 m -53.8 -39.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.4 -52.44 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.520000000000003 110.407 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -25.17 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 74.150000000000006 109.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -76.43 -22.08 55.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 55.420000000000002 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.16 -42.0 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.262 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.92 -15.72 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 109.285 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.8 -23.81 63.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.555 ' SG ' ' CD1' ' A' ' 25' ' ' PHE . 8.9 t -107.98 -21.48 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.237 -1.023 . . . . 65.200000000000003 108.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -40.39 -29.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 61.310000000000002 109.263 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -69.65 95.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.71 139.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 72.230000000000004 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.28 20.71 58.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 41.530000000000001 110.999 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.2 t -130.22 13.07 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 65.409999999999997 109.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 4.5 t80 -63.17 114.15 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.340000000000003 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.459 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.7 m-20 -113.59 74.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.322 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HG3' ' A' ' 28' ' ' LYS . 18.8 p80 -40.12 -50.92 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 75.25 109.627 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mttm -51.45 -48.68 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 4.6 mmpt? -60.17 -58.44 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 70.129999999999995 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 71' ' ' PHE . 1.1 t80 -38.35 -63.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 110.976 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.644 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.9 m-85 -54.5 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 73.219999999999999 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -71.11 -21.91 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 74.109999999999999 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.56 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 73.150000000000006 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 36' ' ' LEU . 9.1 p -66.5 -20.39 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.239999999999995 108.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.58 -14.7 59.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 111.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 7.7 mt -40.35 -30.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 75.019999999999996 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 35' ' ' GLY . 7.7 t -68.53 94.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.99 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.7 31.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 18.4 mmtt -55.19 -178.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 73.030000000000001 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.17 141.23 38.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 HG21 ' CE ' ' A' ' 45' ' ' LYS . 1.8 m -61.04 -19.46 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 110.383 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -73.32 -60.66 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.329999999999998 109.289 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.6 pt-20 -59.33 -43.76 92.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 74.310000000000002 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 107' ' ' ILE . 71.1 t -44.47 -40.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 20.9 mttm -68.73 -41.38 79.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 73.530000000000001 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.8 mmmt -66.19 -21.38 66.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.1 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 64.109999999999999 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 5.6 t80 -66.19 -20.76 66.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 72.239999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.09 -6.89 58.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 72.109999999999999 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.672 ' CG2' ' CD1' ' A' ' 3' ' ' PHE . 8.5 mm -74.04 -52.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 109.262 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.6 -52.61 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 74.319999999999993 109.325 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -40.0 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 71.019999999999996 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 24.3 mt-30 -94.02 -25.92 17.01 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.64 1.686 . . . . 75.019999999999996 110.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 3.0 p30 -112.08 -9.39 13.97 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.889 -1.053 . . . . 75.349999999999994 109.996 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 54.8 54.94 8.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.309 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -78.23 -5.58 52.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.109999999999999 110.004 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 97.2 -18.94 56.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 64.219999999999999 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 9.0 m-85 -142.97 -175.87 4.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 71.239999999999995 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.31 76.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.019999999999996 109.281 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.5 mp0 -54.57 156.54 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 64.129999999999995 110.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -46.6 -34.9 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 110.278 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 1.2 mp0 -63.17 -37.89 89.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLU . 21.7 mt-10 -83.37 -26.47 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.140000000000001 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 87' ' ' LEU . 11.6 mt -52.71 -51.77 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 6.3 ptpp? -57.03 -18.31 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.2 mt -92.58 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 72.109999999999999 109.338 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 76.6 t80 -80.57 6.57 12.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 75.25 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 15.5 mt -118.06 -7.92 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.510000000000005 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 41.1 mt-30 -92.13 1.25 57.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 110.262 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.6 p30 -83.63 -45.33 13.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 65.109999999999999 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.9 m-85 -82.67 5.56 20.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.519999999999996 111.031 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' GLN . 16.2 tptp -175.12 148.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.48 65.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 74.439999999999998 109.264 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 175.73 -33.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 72.349999999999994 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -39.47 135.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 73.299999999999997 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 20' ' ' LYS . 13.8 ptt85 -56.93 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 65' ' ' LYS . . . -120.47 137.15 54.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 73.209999999999994 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 25' ' ' PHE . 2.8 mm? -45.1 148.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 72.329999999999998 109.277 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.439 ' CB ' ' OE2' ' A' ' 82' ' ' GLU . 35.3 t -61.97 -173.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 75.450000000000003 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' N ' ' OG ' ' A' ' 79' ' ' SER . 7.7 p-10 -73.0 -28.68 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 65.010000000000005 109.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 74.530000000000001 109.28 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 29.8 mt-10 -50.91 -51.42 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 74.329999999999998 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -59.8 -27.5 66.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 71.209999999999994 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -73.85 -41.95 61.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 75.329999999999998 109.344 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.9 96.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 109.304 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.622 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -74.03 -13.63 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 64' ' ' LEU . 33.7 tp -83.2 -64.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 72.239999999999995 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -56.49 -39.79 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.36 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 60.310000000000002 109.298 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -76.36 -63.15 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 75.349999999999994 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 4.4 t0 -49.31 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 73.420000000000002 109.269 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -89.83 2.73 54.6 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.63 1.681 . . . . 73.030000000000001 109.994 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -123.67 -1.06 8.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.884 -1.055 . . . . 61.140000000000001 109.991 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.37 70.09 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 53.240000000000002 110.973 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.83 -22.99 13.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 72.400000000000006 109.251 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 116.03 8.55 13.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 21.1 mtmt -150.51 171.48 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 74.049999999999997 109.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.416 HD12 ' CD2' ' A' ' 64' ' ' LEU . 2.3 mt -133.41 104.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.81 -165.36 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.11 -38.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 73.040000000000006 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -18.71 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 91' ' ' ASP . 30.1 mt-10 -99.13 -41.6 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 51.9 t80 -72.08 -27.63 62.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.409999999999997 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.85 -11.03 48.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 109.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.4 -54.02 6.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 61.009999999999998 109.309 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.568 ' HE3' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -50.67 -19.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 64.200000000000003 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.644 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 1.3 pt -106.48 -36.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 71.120000000000005 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 44.3 tttt -71.28 -13.41 61.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 75.239999999999995 109.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.519 1.137 . . . . 65.430000000000007 110.98 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.993 -0.373 . . . . 73.299999999999997 109.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp -89.68 46.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 74.530000000000001 110.973 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.69 -62.02 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 109.316 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.753 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.6 m-85 -53.2 -19.67 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.150000000000006 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -95.76 -41.49 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.63 -62.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 63.240000000000002 109.305 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.82 -178.85 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 72.150000000000006 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -89.57 127.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -52.26 -26.23 11.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.61 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 109.332 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LYS . 34.9 mt-10 -71.99 -56.91 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.209999999999994 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -59.76 -36.14 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 71.219999999999999 109.276 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -53.56 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 110.41 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 71.120000000000005 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.4 -19.3 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 64.040000000000006 109.348 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -86.63 -24.86 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 73.200000000000003 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -90.68 -19.4 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.33 -12.79 81.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 74.099999999999994 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -135.45 29.09 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.331 -0.989 . . . . 61.539999999999999 108.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -64.59 -46.44 82.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 65.439999999999998 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 152.4 44.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 64.540000000000006 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.22 151.98 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.39 50.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 65.109999999999999 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 p -133.06 17.02 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 0.8 . . . . 62.509999999999998 109.968 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 9.1 t80 -92.54 142.95 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 74.140000000000001 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -135.49 89.44 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.276 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 24.6 p80 -39.8 -57.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.631 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 7.5 pttt -44.77 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 70.109999999999999 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -47.0 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.239999999999995 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CE2' HD22 ' A' ' 68' ' ' LEU . 9.6 t80 -38.36 -63.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 75.219999999999999 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 57.4 m-85 -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' LYS . 8.3 ttpt -73.52 -27.01 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.39 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.287 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -64.43 -19.51 65.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 60.409999999999997 108.313 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 96.23 -7.96 66.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 111.011 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.3 mt -40.05 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 75.510000000000005 109.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' GLY . 59.1 m -69.29 -52.9 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -81.58 -0.03 88.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.1 mmtt -72.54 178.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 74.200000000000003 109.31 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.7 m -90.27 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 74.519999999999996 109.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -54.89 -18.51 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 71.140000000000001 110.381 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -67.06 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.209999999999994 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -57.27 -38.81 74.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 110.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 107' ' ' ILE . 52.0 t -40.9 -45.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 43.1 mttt -59.96 -47.58 85.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' GLU . 3.9 mtmt -67.66 -20.42 65.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.18 -39.35 33.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 71.400000000000006 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.7 t80 -66.78 -25.56 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.319999999999993 111.06 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.75 -4.68 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 72.310000000000002 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.664 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 9.9 mm -79.1 -47.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.129999999999995 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.478 HG13 ' CB ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -71.14 -51.29 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 73.439999999999998 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.37 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.332 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -86.98 -59.32 2.29 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.642 1.686 . . . . 75.420000000000002 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.481 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -74.49 1.94 10.73 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.923 -1.036 . . . . 55.020000000000003 110.023 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp 51.23 57.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.420000000000002 109.258 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -91.17 -9.01 46.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 110.015 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.13 -9.3 64.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 72.239999999999995 111.047 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.73 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 73.209999999999994 110.964 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 HG13 ' CE2' ' A' ' 48' ' ' PHE . 65.8 mt -130.37 92.74 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.284 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.24 168.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.219999999999999 110.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -58.03 -40.53 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.51 -37.27 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 53.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 54' ' ' ASP . 33.1 mt-10 -74.54 -28.44 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 71.519999999999996 110.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 98' ' ' ILE . 10.5 mt -54.09 -49.09 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 109.247 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -57.64 -17.79 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.264 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 48.8 mt -92.57 27.94 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.285 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 50.3 t80 -73.0 -1.13 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.507 HD22 ' CE2' ' A' ' 30' ' ' PHE . 13.7 mt -115.96 -8.46 11.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 73.120000000000005 109.249 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -84.95 -1.52 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 110.288 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.617 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 10.6 p30 -85.48 -41.99 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 74.530000000000001 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.753 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 83.1 m-85 -84.55 6.24 24.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.519999999999996 110.989 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -175.16 150.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.150000000000006 109.282 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.81 25.88 6.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 72.209999999999994 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.0 25.89 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 63.310000000000002 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.77 -174.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 72.109999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.28 160.78 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 110.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.3 144.91 31.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 64.219999999999999 109.306 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 2.2 mm? -73.64 148.21 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 75.519999999999996 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t -64.13 178.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 72.299999999999997 110.023 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 21.5 m-20 -69.73 -35.14 74.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.8 60.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 75.140000000000001 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.57 -48.28 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.8 m -69.63 -18.55 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.140000000000001 110.414 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -67.71 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 73.430000000000007 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -66.96 -22.2 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 64.519999999999996 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.67 -18.26 60.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 111.024 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 38.5 tp -80.8 -64.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 109.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -63.99 -18.87 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 85' ' ' ALA . . . -53.45 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 73.430000000000007 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -100.75 -41.22 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 41.32 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 20.6 t0 -62.72 80.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 74.310000000000002 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -67.82 -54.62 17.64 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.593 1.663 . . . . 73.430000000000007 109.996 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -67.18 -13.9 62.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.934 -1.031 . . . . 72.219999999999999 109.985 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.49 70.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.09 . . . . 65.400000000000006 111.014 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -13.4 23.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.010000000000005 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' LYS . . . 119.91 7.94 9.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 53.299999999999997 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 51.9 mtmt -152.91 178.66 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 71.120000000000005 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 64' ' ' LEU . 2.3 mt -136.26 105.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.27 -162.46 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 111.049 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -78.24 -49.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 70.430000000000007 109.29 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -54.15 -28.28 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.318 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 37.2 mt-10 -88.86 -45.96 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.200000000000003 110.232 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 43.6 t80 -59.41 -29.14 67.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . . . -86.82 -6.94 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.349999999999994 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 109' ' ' GLY . . . -81.74 -54.85 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 71.120000000000005 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 4.0 ptm -51.36 -26.27 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.5 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.498 HG22 ' CG ' ' A' ' 31' ' ' PHE . 18.5 pt -92.98 -43.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 74.409999999999997 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.24 -16.14 63.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 72.409999999999997 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 75.5 111.023 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.016 -0.364 . . . . 62.420000000000002 110.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtt 50.86 37.57 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 74.530000000000001 111.014 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.28 -29.38 26.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 75.25 109.278 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.739 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 9.1 m-85 -70.69 -5.59 30.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 74.200000000000003 110.952 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.07 -18.01 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -96.48 -47.64 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.959 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.88 -62.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' CD2' ' CE ' ' A' ' 39' ' ' LYS . 6.2 mt -112.79 171.03 7.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.6 ttpt -86.98 121.15 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.336 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -48.34 -41.42 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 73.310000000000002 109.283 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.29 73.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 55.350000000000001 109.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 27.8 mm-40 -75.67 -63.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 110.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' HD12 ' A' ' 7' ' ' LEU . 26.9 m -54.0 -29.46 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 65.329999999999998 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -49.07 37.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 62.240000000000002 110.421 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.91 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -80.7 -33.16 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.78 -33.84 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.29 -18.9 54.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 64.120000000000005 109.308 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.91 -8.5 73.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 72.340000000000003 110.982 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.17 26.07 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.326 -0.99 . . . . 74.310000000000002 108.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 -16.88 53.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 24' ' ' SER . . . -98.44 102.18 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 54.149999999999999 109.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.82 133.93 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.150000000000006 109.264 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.72 16.89 74.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 71.319999999999993 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 1.5 p -126.68 12.25 7.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 64.209999999999994 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.6 t80 -75.56 136.53 40.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 74.010000000000005 111.019 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 4.2 m-20 -138.87 93.16 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.355 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 89' ' ' ALA . 26.5 p80 -39.89 -59.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.624 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 26.6 mtmt -43.58 -47.15 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 73.209999999999994 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 6.1 mptt -63.25 -39.49 94.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 3.2 t80 -61.31 -63.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 75.310000000000002 111.01 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.639 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 15.9 m-85 -52.33 -23.11 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 111.026 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -77.36 -51.2 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 74.349999999999994 109.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 109.285 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 82.2 m -90.66 -26.17 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 73.120000000000005 108.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.73 -14.37 64.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 62.229999999999997 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 mt -42.52 -28.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.308 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLY . 42.1 t -65.29 -49.21 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 74.329999999999998 110.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -90.07 6.65 82.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 29.3 mmtt -71.23 -179.64 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 73.230000000000004 109.289 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.501 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -87.89 153.35 21.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 72.340000000000003 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.498 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 1.3 m -68.88 -26.55 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 74.329999999999998 110.409 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.62 -63.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' OE2' ' CG ' ' A' ' 39' ' ' LYS . 6.6 pt-20 -51.72 -36.93 48.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 75.310000000000002 110.307 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 40' ' ' SER . 25.4 t -45.67 -47.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 54.219999999999999 109.335 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.258 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -76.14 -20.93 57.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 71.329999999999998 109.326 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.04 -37.26 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 63.32 109.344 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 10.1 t80 -62.42 -20.94 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 70.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.36 -8.64 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.651 ' CG2' ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -72.52 -48.93 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 70.109999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' HA ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.86 -58.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.334 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.579 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 71.6 m-20 -40.17 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 63.020000000000003 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.39 -17.06 33.17 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.629 1.68 . . . . 64.040000000000006 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.4 p-10 -119.96 -14.13 8.95 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.889 -1.053 . . . . 54.509999999999998 109.995 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 20.7 mmtp 61.92 36.96 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 109.304 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.418 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.1 p -56.92 -17.67 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.17 -31.94 6.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 72.099999999999994 110.972 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.0 -170.86 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 75.219999999999999 111.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.3 mt -127.24 77.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -52.52 165.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 74.540000000000006 110.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -51.93 -41.48 62.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 74.140000000000001 110.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.85 -24.47 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 75.420000000000002 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -88.1 -34.25 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 74.239999999999995 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 12.3 mt -52.17 -54.52 29.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 75.049999999999997 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -53.26 -21.09 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.120000000000005 109.268 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.9 mt -92.76 26.69 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.283 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.726 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 15.3 t80 -77.56 2.35 16.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 70.219999999999999 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 17.2 mt -118.13 -7.75 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.129999999999995 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -89.4 1.48 55.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.295 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.596 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.4 p30 -86.13 -45.33 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 74.030000000000001 109.341 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD1' ' CD2' ' A' ' 3' ' ' PHE . 51.0 m-85 -83.27 9.49 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 73.230000000000004 111.02 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -179.06 154.85 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 109.3 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.17 27.28 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 65.140000000000001 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.81 20.79 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 51.43 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -92.45 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 74.219999999999999 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -57.97 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 74.340000000000003 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.25 137.55 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.296 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.552 HD11 ' CD1' ' A' ' 25' ' ' PHE . 2.5 mm? -53.07 140.49 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.200000000000003 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 82' ' ' GLU . 32.0 t -61.13 164.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 75.019999999999996 109.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -26.25 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 71.439999999999998 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -54.5 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . 18.1 mt-10 -44.99 -43.16 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 72.519999999999996 110.342 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.3 m -67.0 -32.53 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 74.030000000000001 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.9 mtmt -66.37 -40.84 89.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 73.430000000000007 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -48.38 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.420000000000002 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.726 ' CE1' ' CG ' ' A' ' 67' ' ' PHE . 10.2 t80 -70.81 -13.72 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.319999999999993 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 91' ' ' ASP . 38.4 tp -83.94 -56.58 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 72.400000000000006 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -25.3 64.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.439999999999998 109.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . . . -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.140000000000001 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.72 -60.16 1.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 64.340000000000003 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.8 t0 -61.44 120.69 10.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 64.239999999999995 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 t -100.44 -14.86 18.13 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.652 1.691 . . . . 71.409999999999997 110.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 12.5 p-10 -98.62 -13.8 20.18 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 114.935 -1.029 . . . . 65.400000000000006 109.996 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 50.15 67.96 1.62 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 73.299999999999997 111.011 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -110.16 -23.01 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 71.109999999999999 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.39 -2.1 18.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 70.329999999999998 111.012 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -131.62 146.65 52.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 64.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.402 ' CG2' ' HB2' ' A' ' 103' ' ' PHE . 1.7 mt -118.96 108.03 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 74.340000000000003 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.36 -163.94 16.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.457 1.098 . . . . 63.439999999999998 110.98 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -83.93 -37.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 75.439999999999998 109.269 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' N ' HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -69.62 -16.07 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.301 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -102.51 -36.98 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.409999999999997 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 107' ' ' ILE . 57.3 t80 -78.03 -24.89 47.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 100' ' ' ILE . . . -88.96 -13.31 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 61.520000000000003 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.77 -50.41 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 71.049999999999997 109.336 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.562 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.1 ptm -54.97 -15.47 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 111.041 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.639 ' CG2' ' CG ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -109.03 -32.91 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -54.39 -41.36 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 74.299999999999997 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 75.310000000000002 110.989 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.964 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.626 . . . . 74.019999999999996 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.03 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.2 m-85 -52.1 -21.11 2.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 73.310000000000002 111.013 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.09 -23.55 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.291 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -82.77 -51.21 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 74.549999999999997 109.959 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.11 -62.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.016 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -104.54 -176.52 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 61.130000000000003 109.31 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -83.72 121.83 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -53.2 -31.56 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.209999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.24 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 74.140000000000001 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.18 -58.47 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 110.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.85 -30.48 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 54.520000000000003 109.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -50.66 -55.17 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 71.120000000000005 110.362 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.02 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.294 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.89 -18.32 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.809 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.8 mt -90.25 -29.43 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 109.279 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -84.27 -17.09 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 72.030000000000001 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -14.87 81.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 111.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' C ' ' N ' ' A' ' 21' ' ' ALA . 9.3 p -108.45 -20.17 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.255 -1.017 . . . . 55.399999999999999 108.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -40.35 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 70.310000000000002 109.265 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -73.49 117.16 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 64.120000000000005 109.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' SER . . . -50.64 149.37 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 109.288 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 39.47 29.55 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.733 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.5 t -125.6 2.78 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.966 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 23.5 t80 -65.67 125.35 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.549999999999997 111.037 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 1.3 m-20 -123.52 82.35 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 70.310000000000002 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 26.1 p-80 -40.22 -56.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.439999999999998 109.572 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 50.2 mttt -43.2 -51.09 6.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HZ2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -62.49 -38.04 88.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 109.295 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 1.6 t80 -59.62 -63.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 63.310000000000002 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CG2' ' A' ' 107' ' ' ILE . 12.0 m-85 -56.99 -36.91 70.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.099999999999994 110.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -73.16 -25.12 60.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.245 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -72.13 -61.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 51.530000000000001 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.016 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.7 p -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 108.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.11 -9.74 59.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.975 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' PHE . 10.8 mt -40.38 -38.31 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 70.010000000000005 109.311 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -71.57 117.77 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.81 -22.08 41.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.27 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 74.340000000000003 109.299 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 m -82.91 140.66 32.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 44.240000000000002 109.968 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -66.21 -9.68 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -78.98 -55.12 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 63.329999999999998 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.5 pt-20 -58.33 -40.66 82.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -46.59 -50.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 63.130000000000003 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 45.6 mttm -54.24 -32.19 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mmmt -80.1 -24.16 40.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -82.29 -21.56 36.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 109.283 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 59' ' ' ILE . 30.4 t80 -72.58 -20.77 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 110.96 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.12 -44.59 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 32.340000000000003 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.03 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.9 mm -41.31 -47.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 mt -70.88 -61.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.25 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -40.38 103.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 52.420000000000002 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 26.6 mt-30 -95.2 -23.49 17.24 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.639 1.685 . . . . 74.519999999999996 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.1 p-10 -113.15 3.97 16.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.857 -1.068 . . . . 73.430000000000007 109.962 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 41.09 49.48 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 109.314 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -74.0 -4.62 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 73.439999999999998 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 96.16 -28.31 13.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 74.310000000000002 111.055 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.415 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 12.9 m-85 -136.89 177.98 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 75.239999999999995 110.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 59' ' ' ILE . 36.5 mt -118.83 76.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.240000000000002 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -47.5 163.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 74.099999999999994 110.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 64' ' ' LEU . 34.5 tt0 -55.22 -24.67 28.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 73.430000000000007 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.95 -25.6 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -86.0 -26.4 25.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 52.219999999999999 110.259 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 87' ' ' LEU . 11.4 mt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 72.5 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 8.4 ptpp? -60.4 -15.87 30.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 53.100000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 mt -92.82 27.36 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.150000000000006 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 53.7 t80 -81.42 7.4 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 110.991 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.9 mt -118.53 -7.64 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 38.0 mt-30 -91.86 1.67 57.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 72.430000000000007 110.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.74 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.7 p-10 -83.53 -45.49 13.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 61.399999999999999 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.809 ' CB ' HD11 ' A' ' 16' ' ' LEU . 71.9 m-85 -82.84 6.13 19.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.109999999999999 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -177.28 151.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.09 64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 64.150000000000006 109.288 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 177.51 -34.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 52.329999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.61 139.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 53.329999999999998 109.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -56.74 -170.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 73.409999999999997 110.29 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -127.13 133.37 50.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 62.100000000000001 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 25' ' ' PHE . 1.8 mm? -40.28 147.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 53.530000000000001 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -60.15 -176.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 53.409999999999997 109.962 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.98 -29.67 66.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 63.240000000000002 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -86.95 -50.55 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 63.530000000000001 109.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -46.3 -45.35 17.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 62.310000000000002 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.2 m -68.3 -27.79 66.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 70.319999999999993 110.432 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ALA . 18.4 mttm -71.34 -45.83 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.39 -48.8 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 72.010000000000005 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 27' ' ' HIS . 7.0 t80 -64.93 -13.6 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 64.430000000000007 110.959 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.831 HD13 ' CD1' ' A' ' 64' ' ' LEU . 49.7 tp -84.15 -64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 74.409999999999997 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -23.27 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -68.97 -28.69 66.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 62.030000000000001 109.308 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.81 -69.87 0.6 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 42.329999999999998 111.02 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.57 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.6 t0 -48.65 119.59 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 71.129999999999995 109.271 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -100.6 4.16 43.15 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 123.637 1.684 . . . . 70.129999999999995 110.032 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.4 p-10 -123.85 -9.6 7.77 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.948 -1.025 . . . . 62.509999999999998 109.994 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.05 63.28 2.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 74.019999999999996 110.966 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -103.06 -22.94 13.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 64.430000000000007 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.96 5.74 11.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -143.86 154.89 43.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 73.310000000000002 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -126.97 104.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 109.326 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.54 -170.05 8.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 61.439999999999998 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -76.4 -52.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 63.020000000000003 109.271 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.75 -29.21 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 73.120000000000005 109.312 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.36 -36.28 19.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.424 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.3 t80 -66.12 -31.92 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 75.420000000000002 111.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.4 -3.78 59.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.430000000000007 109.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 -53.98 4.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 64.109999999999999 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.555 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.0 ptm -53.23 -19.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 45.020000000000003 110.947 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.788 HD11 HG11 ' A' ' 44' ' ' VAL . 17.8 pt -100.41 -44.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -61.41 -22.7 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 65.230000000000004 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.984 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 63.340000000000003 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.846 ' CD2' HD12 ' A' ' 7' ' ' LEU . 8.1 m-85 -53.08 -19.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 70.540000000000006 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.77 -28.24 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 t -102.38 -44.17 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 71.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.59 -63.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' CD2' ' A' ' 3' ' ' PHE . 32.4 mt -107.16 -176.26 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 71.019999999999996 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -89.2 111.94 22.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 64.109999999999999 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 8.5 p-10 -57.75 -17.68 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 70.439999999999998 109.323 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -85.96 -29.2 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.271 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.6 mm-40 -86.8 -60.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.219999999999999 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 8' ' ' LYS . 4.5 m -39.06 -51.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -48.39 -51.21 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 110.406 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -59.53 -34.03 72.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.329999999999998 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -73.85 -24.68 59.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.796 HD11 ' CB ' ' A' ' 71' ' ' PHE . 7.6 mt -74.55 -43.28 56.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.94 -17.0 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 53.520000000000003 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.94 -4.03 61.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.448 1.092 . . . . 52.43 110.996 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -138.82 25.15 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 71.310000000000002 108.301 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.26 -46.88 88.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.286 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.99 120.56 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.010000000000005 109.333 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 140.68 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 109.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.64 -24.56 16.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 63.009999999999998 111.002 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 p -98.14 14.83 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 63.329999999999998 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CD2' HD11 ' A' ' 78' ' ' LEU . 2.2 t80 -89.99 146.65 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 111.031 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.9 m-20 -144.43 128.78 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.340000000000003 109.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.649 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 15.7 p80 -69.41 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 55.299999999999997 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mtmm -47.55 -39.23 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.030000000000001 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.5 mmtt -66.35 -55.02 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 55.109999999999999 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 4.9 t80 -43.47 -63.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 111.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.8 m-85 -52.12 -26.66 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 64.439999999999998 111.012 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -86.33 -24.16 25.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.61 -28.07 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 2.7 m -94.17 -27.13 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 75.150000000000006 108.328 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 106.69 -13.46 42.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 62.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' HD11 ' A' ' 7' ' ' LEU . 7.5 mt -41.44 -29.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.1 t -65.54 -51.42 59.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 110.03 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.35 5.0 82.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 44.020000000000003 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 7' ' ' LEU . 20.0 mmtt -76.84 -175.36 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 64.120000000000005 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.608 ' O ' HG23 ' A' ' 44' ' ' VAL . 74.2 m -99.53 147.33 25.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 110.012 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -12.74 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.396 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.275 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 pt-20 -54.27 -38.14 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 74.310000000000002 110.307 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 107' ' ' ILE . 79.7 t -47.55 -45.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 64.319999999999993 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HG2' HD12 ' A' ' 100' ' ' ILE . 47.1 mttm -60.02 -31.55 70.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 53.109999999999999 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -85.68 -20.53 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 65.519999999999996 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.62 -12.19 56.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 70.2 t80 -80.12 -21.63 43.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.595 ' HB1' ' HE2' ' A' ' 55' ' ' LYS . . . -86.37 -28.67 23.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 73.310000000000002 109.307 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.881 HD12 ' CB ' ' A' ' 2' ' ' ALA . 30.8 mm -56.65 -45.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 73.319999999999993 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.7 mt -69.93 -65.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m-20 -44.24 103.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 28.8 mt-30 -84.62 -16.57 41.58 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.693 1.711 . . . . 73.230000000000004 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.7 p30 -118.3 -6.61 10.8 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.897 -1.049 . . . . 65.140000000000001 109.977 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.595 ' HE2' ' HB1' ' A' ' 49' ' ' ALA . 0.0 OUTLIER 49.55 55.8 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.3 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.4 p -74.44 -11.38 60.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.39 -17.43 40.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 51.25 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -141.83 -175.43 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 111.038 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 11.7 mt -126.89 79.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 71.049999999999997 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -49.45 166.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 110.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.86 -33.0 74.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.329999999999998 110.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -73.95 -20.96 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.242 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 66' ' ' LEU . 12.1 mt-10 -94.47 -17.72 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 63.310000000000002 110.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.45 -46.04 91.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -62.82 -14.06 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 63.439999999999998 109.294 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.854 HD22 ' NE2' ' A' ' 69' ' ' GLN . 13.4 mt -90.33 16.85 7.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 63.329999999999998 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.766 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -62.97 -12.13 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.209999999999994 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 78' ' ' LEU . 8.3 mt -100.74 -12.56 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 51.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.854 ' NE2' HD22 ' A' ' 66' ' ' LEU . 29.2 mt-30 -73.97 -2.93 26.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.661 ' HB2' HG22 ' A' ' 50' ' ' ILE . 4.9 p30 -83.7 -45.29 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CB ' HD11 ' A' ' 16' ' ' LEU . 40.0 m-85 -85.68 8.48 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 tppt? -175.12 150.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 65.400000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.96 21.09 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 63.439999999999998 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.68 24.48 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 60.229999999999997 111.017 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -69.48 164.6 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 44.340000000000003 109.292 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.82 156.79 28.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 110.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 65' ' ' LYS . . . -94.51 136.3 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 52.020000000000003 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' HG ' ' A' ' 68' ' ' LEU . 1.7 mm? -70.09 136.91 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 54.109999999999999 109.32 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.4 m -61.14 146.18 48.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.239999999999995 109.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.5 -30.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -68.78 -65.21 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 4.2 mp0 -49.43 -50.52 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.329999999999998 110.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -59.94 -36.91 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 60.130000000000003 110.437 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -59.5 -49.92 75.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 75.109999999999999 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.911 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.56 -16.27 62.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 75.310000000000002 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.649 ' CE1' ' CB ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -82.62 -31.98 28.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 65.439999999999998 111.006 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -75.04 -64.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.510000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -56.03 -19.72 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 61.210000000000001 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.79 -55.21 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.310000000000002 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.73 -57.24 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 74.129999999999995 110.971 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.628 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.0 t0 -59.03 119.54 7.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 70.030000000000001 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -100.56 -17.89 16.87 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 123.622 1.677 . . . . 65.310000000000002 110.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 11.9 p-10 -93.3 -15.57 25.65 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.948 -1.025 . . . . 74.540000000000006 109.999 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 53.53 60.2 8.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 42.420000000000002 110.992 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -101.86 -21.41 14.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 73.409999999999997 109.342 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.67 -1.08 29.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.939 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -130.19 149.04 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 54.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.628 HD11 ' H ' ' A' ' 91' ' ' ASP . 3.4 mt -129.68 103.18 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.04 1.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.084 . . . . 71.510000000000005 111.028 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.474 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -82.06 -34.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 51.43 109.333 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -68.31 -28.63 67.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 53.310000000000002 109.305 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.94 -37.5 16.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.249 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 106' ' ' MET . 9.1 t80 -72.94 -31.44 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.450000000000003 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.674 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -85.5 -54.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.303 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 6.1 ptm -51.45 -20.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.040000000000006 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.852 HD11 HG11 ' A' ' 44' ' ' VAL . 11.8 pt -98.36 -43.15 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -66.09 -16.37 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 70.209999999999994 109.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 72.340000000000003 110.996 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.722 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.254 -0.647 . . . . 71.530000000000001 109.254 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.73 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 9.2 m-85 -48.23 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 64.239999999999995 111.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' OD2' ' A' ' 9' ' ' ASP . . . -43.6 -27.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 m -100.48 -42.74 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.6 -63.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 64.510000000000005 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.679 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.4 mt -114.55 -176.34 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 66.6 mmtt -82.81 122.48 28.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 109.337 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.485 ' OD2' ' CB ' ' A' ' 4' ' ' ALA . 13.2 m-20 -59.59 -21.26 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 70.439999999999998 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.78 -19.63 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 43.43 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 16.3 mm-40 -87.95 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 65.030000000000001 110.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 13' ' ' THR . 13.6 m -40.33 -52.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.25 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -44.71 -51.35 9.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 64.219999999999999 110.371 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.39 -38.66 69.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 71.200000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -61.37 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 68' ' ' LEU . 15.1 mt -55.59 -54.3 45.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 74.150000000000006 109.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.94 -14.14 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.040000000000006 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.65 -15.53 71.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 71.109999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -133.32 28.3 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 109.279 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 149.62 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 71.120000000000005 109.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.71 153.36 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 8.23 48.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 44.420000000000002 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -123.9 24.94 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 74.430000000000007 109.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 74.2 t80 -75.07 141.13 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 110.966 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -144.66 94.14 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 31.6 p80 -61.21 -59.42 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 109.568 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 5.4 pttt -40.02 -59.93 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.1 mptp? -53.83 -54.13 42.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 63.100000000000001 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 5.1 t80 -41.61 -63.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 70.439999999999998 111.0 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.4 m-85 -52.14 -25.75 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 70.329999999999998 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 12.3 mmtt -87.54 -23.93 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.325 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.01 -31.61 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 43.310000000000002 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.554 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 m -89.35 -27.18 20.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 75.5 108.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 106.79 -13.98 41.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.679 ' HG ' HD11 ' A' ' 7' ' ' LEU . 2.6 mt -40.47 -30.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 0.772 . . . . 63.450000000000003 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.471 ' CB ' ' HG2' ' A' ' 32' ' ' LYS . 1.5 t -69.38 -59.2 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.239999999999995 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.61 -5.71 69.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 52.200000000000003 111.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 7' ' ' LEU . 15.2 mmtt -69.04 -174.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 64.430000000000007 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.2 m -98.08 146.96 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 71.120000000000005 109.993 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -63.18 -12.3 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 110.439 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.91 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 74.219999999999999 109.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 7' ' ' LEU . 6.5 pt-20 -57.34 -39.47 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 71.530000000000001 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -42.36 -47.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 54.5 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' HD12 ' A' ' 100' ' ' ILE . 22.9 mttm -54.41 -44.4 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . 2.6 mtmt -75.05 -20.5 59.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -11.62 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 75.1 t80 -85.44 -20.68 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 1.041 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -83.58 -43.1 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.722 HD12 ' CB ' ' A' ' 2' ' ' ALA . 6.7 mm -40.49 -47.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 70.299999999999997 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 66' ' ' LEU . 6.8 mt -70.96 -64.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 75.120000000000005 109.335 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 73.3 m-20 -43.26 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 50.5 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 12.2 mt-30 -88.15 -33.34 18.25 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.594 1.664 . . . . 64.319999999999993 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -98.07 -6.25 32.14 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 117.93 -1.033 . . . . 64.109999999999999 109.998 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 1.041 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 7.9 mmmt 49.49 54.51 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.297 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -74.72 -6.95 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.120000000000005 110.002 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 -5.4 71.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 63.039999999999999 110.984 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.08 -178.22 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 63.130000000000003 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 59' ' ' ILE . 24.9 mt -127.64 81.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 62.219999999999999 109.254 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -48.13 175.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 110.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.28 -28.28 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.345 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -80.73 -21.99 40.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.510000000000005 110.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -85.93 -22.55 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 60.310000000000002 110.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 98' ' ' ILE . 10.9 mt -60.82 -40.12 91.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.340000000000003 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -67.56 -13.11 61.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.008 HD22 ' NE2' ' A' ' 69' ' ' GLN . 11.3 mt -94.44 26.9 3.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 70.400000000000006 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.792 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -70.03 -11.36 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 111.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 16' ' ' LEU . 31.5 mt -102.0 -13.58 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 65.209999999999994 109.345 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 1.008 ' NE2' HD22 ' A' ' 66' ' ' LEU . 49.5 mt-30 -71.1 -5.71 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.549999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.678 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.1 p30 -82.75 -45.19 14.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 71.450000000000003 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.73 ' CE2' ' CE1' ' A' ' 3' ' ' PHE . 34.5 m-85 -83.43 10.02 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 111.034 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.47 147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 71.239999999999995 109.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.47 29.8 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.74 29.38 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 71.099999999999994 110.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.27 158.06 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 70.409999999999997 109.264 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.38 160.21 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 110.281 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.13 145.56 29.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 72.25 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 1.9 mm? -76.64 168.29 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 71.310000000000002 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.8 t -77.68 167.89 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 55.439999999999998 110.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -24.28 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.439999999999998 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.21 -51.89 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 61.43 109.357 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -52.84 -55.45 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 74.530000000000001 110.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 m -56.49 -30.53 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 63.43 110.418 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -68.24 -62.81 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.729 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -48.45 -24.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -80.01 -40.81 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.0 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 64' ' ' LEU . 48.2 tp -60.62 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -54.25 -31.09 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -57.4 -36.07 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -71.53 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 35.149999999999999 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.565 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.2 t0 -45.21 119.83 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 109.263 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -12.48 19.48 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 123.607 1.67 . . . . 72.409999999999997 110.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.8 p-10 -104.43 -9.15 18.63 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.862 -1.066 . . . . 70.040000000000006 109.944 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 47.51 62.78 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 73.230000000000004 111.013 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -105.08 -23.04 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 73.239999999999995 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 -0.7 22.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 43.130000000000003 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -130.81 154.46 48.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 72.409999999999997 109.279 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.565 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.8 mt -130.43 108.52 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 74.030000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.13 -162.94 10.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 74.299999999999997 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -83.86 -34.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 64.349999999999994 109.279 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -28.96 66.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 64.510000000000005 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.73 -33.95 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 71.109999999999999 110.311 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 12.4 t80 -76.35 -31.44 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.79 -4.03 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 65.310000000000002 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.46 -54.3 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 63.329999999999998 109.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 3.8 ptm -51.67 -21.21 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.329999999999998 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 44' ' ' VAL . 12.6 pt -97.42 -43.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 65.25 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -66.87 -15.85 63.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 51.210000000000001 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 60.299999999999997 110.959 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.984 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.34 -0.615 . . . . 71.329999999999998 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.109 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.5 m-85 -48.66 -24.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 74.25 111.007 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -28.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 61.210000000000001 109.322 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 m -79.26 -53.55 6.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 110.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 3.6 t -63.58 -62.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.099999999999994 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.1 mt -105.76 175.37 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.0 131.2 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 63.25 109.331 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.12 -34.95 46.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.23 -26.14 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 23.02 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mm-40 -76.62 -62.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.049999999999997 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.6 m -52.08 -31.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 50.240000000000002 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.29 -52.24 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.409999999999997 110.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.41 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 109.286 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.13 -27.76 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 71' ' ' PHE . 10.3 mt -79.42 -29.36 41.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.87 -23.4 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 70.129999999999995 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.19 -7.01 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.020000000000003 110.992 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.74 24.46 5.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.281 -1.007 . . . . 74.349999999999994 108.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.97 -39.06 63.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.336 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -80.65 135.52 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 75.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 124.63 23.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.46 -3.85 85.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 65.349999999999994 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.4 t -99.95 10.79 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 0.724 . . . . 70.400000000000006 110.028 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 9.4 t80 -83.15 108.67 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 62.030000000000001 111.005 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.401 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.6 m-20 -111.59 95.07 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 65.329999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -40.75 -62.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 73.040000000000006 109.613 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -42.72 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' LYS . 6.0 mmmm -48.67 -59.95 3.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.129999999999995 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.6 t80 -39.5 -63.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.450000000000003 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CG ' HG22 ' A' ' 107' ' ' ILE . 42.5 m-85 -59.08 -26.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 72.409999999999997 110.931 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.5 mtpm? -80.59 -18.47 48.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 109.286 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -83.78 -62.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.564 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -64.99 -18.13 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 71.150000000000006 108.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.99 -4.41 78.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 71.200000000000003 110.994 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.38 -31.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 72.439999999999998 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.1 t -68.35 -52.21 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 70.140000000000001 110.034 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -82.94 -0.94 90.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 53.450000000000003 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' GLY . 18.9 mmtt -68.38 -171.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 75.230000000000004 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -103.61 137.89 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.025 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -52.26 -20.7 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.230000000000004 110.388 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -61.31 -63.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 63.240000000000002 109.308 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' ALA . 6.3 pt-20 -59.79 -38.45 81.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.329 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 107' ' ' ILE . 70.0 t -43.36 -51.44 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -59.9 -37.67 80.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 60.119999999999997 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.5 mtpm? -73.56 -20.53 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -80.96 -35.51 32.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 70.319999999999993 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 59' ' ' ILE . 84.1 t80 -62.29 -21.59 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.29 -12.61 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 50.109999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.109 HG21 ' CD1' ' A' ' 3' ' ' PHE . 14.2 mm -70.77 -59.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.91 -70.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.354 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 2.0 t0 -41.02 103.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 72.519999999999996 109.314 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.9 mt-30 -93.59 -41.66 9.62 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 123.634 1.683 . . . . 75.219999999999999 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 29.2 p30 -73.69 -20.31 60.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.919 -1.039 . . . . 72.5 109.967 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 53.76 25.1 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 109.329 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' CG ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -48.25 -24.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 110.044 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.05 -54.83 0.77 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 62.539999999999999 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CG ' ' NZ ' ' A' ' 97' ' ' LYS . 14.5 m-85 -127.22 134.68 50.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 72.109999999999999 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 63' ' ' GLU . 96.4 mt -68.71 83.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 71.340000000000003 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.16 166.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 63.100000000000001 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -53.4 -34.51 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 64.420000000000002 110.321 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.69 -26.47 67.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.73 ' HB3' HG23 ' A' ' 59' ' ' ILE . 18.6 mt-10 -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.049999999999997 110.293 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 98' ' ' ILE . 11.9 mt -51.45 -54.07 30.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 64.430000000000007 109.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' HG3' HD23 ' A' ' 66' ' ' LEU . 8.0 ptpt -53.95 -20.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 53.109999999999999 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.58 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.5 mt -92.77 27.38 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 64.219999999999999 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 79.1 t80 -77.72 2.79 15.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.129999999999995 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.0 mt -117.92 -7.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.310000000000002 109.304 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.92 1.05 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.647 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.7 p30 -84.4 -46.02 12.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 61.310000000000002 109.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 53.0 m-85 -81.4 4.11 22.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -175.15 149.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.7 24.68 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 64.200000000000003 109.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.32 21.01 0.84 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.93 151.69 22.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 0.8 . . . . 62.329999999999998 109.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -61.59 -170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.219999999999999 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -135.3 124.43 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 64.25 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mm? -40.37 134.19 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 52.530000000000001 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -61.66 167.22 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 54.200000000000003 109.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -23.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.297 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.84 -61.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.287 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.6 mp0 -49.44 -22.78 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 72.450000000000003 110.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.0 m -89.37 -28.7 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 61.240000000000002 110.403 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.5 mtpt -74.89 -40.36 60.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 72.439999999999998 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.35 -39.12 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.7 t80 -81.19 -15.72 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 52.43 111.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 64' ' ' LEU . 46.0 tp -82.32 -52.11 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.54 -26.7 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 65.329999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -55.12 -65.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 53.32 109.313 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.58 -72.96 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.112 . . . . 63.299999999999997 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -44.9 119.67 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 60.43 109.298 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 t -100.62 -37.95 8.55 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 123.611 1.672 . . . . 71.209999999999994 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.6 p-10 -72.9 -9.53 58.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 117.936 -1.031 . . . . 72.140000000000001 110.007 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.21 53.25 31.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 111.016 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.53 -22.91 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 71.439999999999998 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 13.05 23.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.546 ' NZ ' ' CG ' ' A' ' 58' ' ' PHE . 4.9 mtmp? -135.46 147.41 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.75 . . . . 71.209999999999994 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.908 HD12 HD21 ' A' ' 64' ' ' LEU . 3.8 mt -123.45 107.52 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.8 -163.88 32.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 63.140000000000001 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -83.75 -39.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 55.100000000000001 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -16.63 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 73.340000000000003 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -98.63 -38.72 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 64.010000000000005 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.47 -26.6 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 74.349999999999994 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.19 -12.51 49.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 64.219999999999999 109.321 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.69 -51.59 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 22.350000000000001 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.05 -18.37 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 111.033 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.753 HD11 ' CG1' ' A' ' 44' ' ' VAL . 24.5 pt -100.61 -44.99 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 62.329999999999998 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -30.69 63.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 54.229999999999997 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 31.399999999999999 110.982 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.776 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.296 -0.631 . . . . 64.239999999999995 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.6 m-85 -59.24 -15.61 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 62.450000000000003 110.982 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 50.020000000000003 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 p -82.13 -54.61 5.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 110.07 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.84 -63.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.420000000000002 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -115.97 -176.42 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 54.530000000000001 109.302 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -93.79 136.17 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 109.285 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -60.16 -16.09 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 55.539999999999999 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.64 -25.01 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 44.210000000000001 109.329 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -86.96 -66.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.219999999999999 110.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.7 m -41.28 -40.54 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.32 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.59 -54.44 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 110.426 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -49.89 -36.01 25.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.748 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -69.19 -36.14 76.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD11 ' CB ' ' A' ' 71' ' ' PHE . 11.9 mt -67.18 -36.0 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 65.049999999999997 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -89.4 -15.99 31.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 42.439999999999998 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -68.72 -6.78 52.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 45.420000000000002 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 22.8 p -137.19 24.19 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.324 -0.991 . . . . 44.409999999999997 108.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -56.16 -46.77 79.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 65.120000000000005 109.264 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 98.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 62.420000000000002 109.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.84 130.06 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.52 39.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 50.039999999999999 110.995 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.99 18.0 15.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 74.010000000000005 109.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.59 124.3 26.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.965 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 6.2 m-20 -130.7 86.37 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 109.336 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' NE2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 p-80 -40.0 -56.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 62.43 109.57 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 29.0 mtmt -47.6 -45.31 27.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 47.9 mmtt -62.63 -59.7 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.345 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.748 ' CE1' ' HB1' ' A' ' 15' ' ' ALA . 2.1 t80 -39.05 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.340000000000003 110.958 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 57.9 m-85 -52.09 -36.64 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 73.129999999999995 111.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -73.89 -23.31 59.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.340000000000003 109.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -73.34 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 43.43 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -62.37 -20.43 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.310000000000002 108.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.32 -11.25 54.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 110.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' PHE . 11.0 mt -40.45 -37.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 74.25 109.335 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -69.54 112.03 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 64.219999999999999 109.969 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 -20.98 41.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 52.109999999999999 110.998 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -53.84 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 51.219999999999999 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 44' ' ' VAL . 66.5 m -84.26 139.56 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 55.100000000000001 110.028 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -63.95 -11.3 27.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.404 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -76.11 -54.56 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 70.329999999999998 109.309 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.0 -38.24 82.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 73.299999999999997 110.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 78.4 t -48.88 -55.58 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 64.549999999999997 109.29 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 39.6 mttm -45.53 -34.45 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 63.109999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 8.2 mmmm -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.14 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 33.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 59' ' ' ILE . 65.9 t80 -59.4 -23.99 63.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.510000000000005 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.37 -20.31 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 109.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 2' ' ' ALA . 12.7 mm -70.01 -47.88 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 8.3 mt -71.1 -68.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 70.140000000000001 109.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 59' ' ' ILE . 6.1 m-20 -43.84 103.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 63.130000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -88.84 -13.05 40.2 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.633 1.683 . . . . 74.340000000000003 110.334 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.3 p30 -108.25 -23.57 11.87 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.932 -1.032 . . . . 54.219999999999999 109.964 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 1.9 mmmm 58.21 21.74 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 74.319999999999993 109.351 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.14 -53.65 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 64.329999999999998 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.92 -36.56 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 110.978 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -140.42 132.32 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 71.420000000000002 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 67.0 mt -68.17 103.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 72.409999999999997 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.98 169.73 16.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 62.439999999999998 110.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -59.18 -24.63 63.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 110.255 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.26 -17.22 55.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.030000000000001 110.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -96.4 -26.89 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 110.31 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 98' ' ' ILE . 10.6 mt -61.6 -25.63 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.030000000000001 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' NZ ' ' HB1' ' A' ' 77' ' ' ALA . 9.0 ptmm? -83.81 -11.93 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.140000000000001 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 51' ' ' ILE . 10.0 mt -97.44 20.04 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 40.3 t80 -61.18 -13.6 19.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 71.519999999999996 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.95 -12.24 18.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 65.329999999999998 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 50.4 mt-30 -74.72 -2.05 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 71.340000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.707 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.0 p30 -82.61 -43.45 16.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 48.9 m-85 -85.78 9.35 16.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.099999999999994 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 3.4 tmtt? -179.02 148.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.278 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.81 29.93 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 64.200000000000003 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.22 27.29 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.84 153.53 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 71.150000000000006 109.299 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.8 ptt180 -57.37 -177.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.209999999999994 110.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB1' ' NZ ' ' A' ' 65' ' ' LYS . . . -127.84 111.86 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.2 mm? -41.22 139.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 61.229999999999997 109.309 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -67.92 161.98 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 73.340000000000003 110.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -49.14 -24.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -81.03 -63.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -52.11 -22.52 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.7 m -92.43 -23.92 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 19.0 mtpt -68.04 -58.48 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.13 -16.07 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 54.009999999999998 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.579 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -86.81 -38.01 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.120000000000005 110.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 64' ' ' LEU . 57.0 tp -65.69 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.45 -19.4 14.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.2 -55.81 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 75.530000000000001 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.03 -60.51 1.13 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.576 ' H ' HD11 ' A' ' 98' ' ' ILE . 2.6 t0 -45.01 122.3 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -54.29 4.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.648 1.69 . . . . 60.420000000000002 109.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 95' ' ' ASP . 3.6 p30 -87.72 7.59 29.52 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.884 -1.055 . . . . 74.230000000000004 109.968 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.66 51.54 1.92 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 52.520000000000003 110.999 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 9.0 p-10 -81.2 -22.91 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 74.420000000000002 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.46 1.72 12.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 40.109999999999999 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.08 151.74 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 63.240000000000002 109.285 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 64' ' ' LEU . 3.1 mt -130.18 104.81 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.18 -165.04 5.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 53.43 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -83.72 -52.11 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 73.129999999999995 109.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.36 -29.33 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 62.109999999999999 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 20.0 mt-10 -86.61 -42.64 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 110.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.4 t80 -59.54 -32.3 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.53 -5.48 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.94 -54.42 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.329999999999998 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.3 ptm -52.05 -20.08 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 75.439999999999998 110.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 14.9 pt -99.79 -43.67 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 109.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -61.08 -22.8 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.428 1.08 . . . . 62.409999999999997 111.023 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.848 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.29 -0.633 . . . . 74.049999999999997 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.154 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.92 -5.3 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 55.32 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -15.42 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 63.420000000000002 109.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -107.22 -38.32 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 61.119999999999997 109.96 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.469 HG12 ' HG ' ' A' ' 7' ' ' LEU . 63.4 t -63.66 -62.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 64.219999999999999 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 34' ' ' CYS . 6.0 mt -113.19 -176.52 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 61.200000000000003 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 1.3 mmmp? -82.55 118.29 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.98 -19.99 55.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.030000000000001 109.354 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.13 -20.64 29.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 71.400000000000006 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 85.5 mt-10 -87.69 -65.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 m -40.8 -34.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 61.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.75 -51.05 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.42 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -56.44 -34.15 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.5 -21.77 60.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 50.219999999999999 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' CB ' ' A' ' 71' ' ' PHE . 6.1 mt -88.8 -29.95 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 63.219999999999999 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.95 -24.43 23.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.26 -12.48 81.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 54.200000000000003 111.0 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.3 p -108.97 -18.18 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.303 -0.999 . . . . 73.310000000000002 108.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -40.28 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 60.43 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -78.56 109.41 12.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.55 146.73 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 52.409999999999997 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.79 18.88 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 51.32 111.036 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.6 t -123.04 13.11 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 63.539999999999999 109.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.1 t80 -91.59 116.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.120000000000005 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 53.7 t0 -114.81 94.48 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.756 ' NE2' ' HB1' ' A' ' 89' ' ' ALA . 2.1 p80 -39.91 -48.59 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.150000000000006 109.569 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 18.5 mtmt -50.31 -48.49 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 72.519999999999996 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 42.0 mmtt -65.48 -58.28 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 63.450000000000003 109.263 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 13.7 t80 -38.45 -63.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 111.028 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 22.9 m-85 -54.27 -35.52 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 71.439999999999998 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -74.46 -19.97 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.72 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 63.329999999999998 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.4 p -61.64 -20.76 63.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 108.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.64 -10.17 60.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.948 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.5 mt -40.14 -30.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 72.340000000000003 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 35' ' ' GLY . 16.6 p -73.98 120.48 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 60.340000000000003 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.44 -17.77 57.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 110.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -54.77 -170.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 75.209999999999994 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -94.53 138.25 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 72.219999999999999 110.012 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -54.89 -18.61 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -65.48 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.209999999999994 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.0 pt-20 -56.82 -41.58 78.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 72.219999999999999 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 107' ' ' ILE . 55.5 t -45.31 -44.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 10.9 mttm -66.81 -45.27 78.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 53.32 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 11.7 mmtt -64.01 -20.92 66.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 62.039999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.94 -39.62 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 2.3 t80 -63.87 -20.67 66.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 111.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.73 -5.5 59.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 53.530000000000001 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.154 HG21 ' CD2' ' A' ' 3' ' ' PHE . 7.6 mm -77.78 -53.68 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 109.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' CE2' ' A' ' 48' ' ' PHE . 1.4 m-20 -42.08 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.030000000000001 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.82 -15.83 31.46 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.589 1.661 . . . . 73.109999999999999 110.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 11.4 p-10 -116.71 -18.43 10.27 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 117.929 -1.034 . . . . 74.310000000000002 110.034 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HZ2' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 62.39 29.67 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.040000000000006 109.266 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.455 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.5 p -45.98 -27.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.329999999999998 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 122.75 -13.84 8.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.4 m-85 -153.36 174.95 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 75.540000000000006 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -116.6 88.39 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 75.129999999999995 109.335 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -69.23 160.65 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 65.140000000000001 110.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -40.0 -34.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.519999999999996 110.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -56.54 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.54 -28.82 69.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 65.329999999999998 110.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 83' ' ' THR . 8.7 mt -51.9 -61.65 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 64.150000000000006 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -57.13 -17.95 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.59 27.78 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 51.200000000000003 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 85.7 t80 -78.09 4.59 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 71.239999999999995 111.033 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -117.77 -9.65 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 70.519999999999996 110.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.751 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.4 p-10 -83.35 -45.17 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.751 ' CD2' ' ND2' ' A' ' 70' ' ' ASN . 51.6 m-85 -83.32 5.64 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 74.030000000000001 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.73 ' NZ ' ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -175.32 149.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.040000000000006 109.31 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.73 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . -101.27 22.52 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -147.45 17.8 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 61.310000000000002 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.62 -173.12 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 75.439999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 12.2 ptt180 -108.8 171.51 7.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 73.140000000000001 110.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 126.07 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.9 mm? -51.36 151.78 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.25 109.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 t -65.3 168.57 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 63.340000000000003 110.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -63.21 -25.07 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 71.25 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -38.4 15.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 62.420000000000002 109.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.71 -45.63 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 55.299999999999997 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.671 HG23 ' HB3' ' A' ' 64' ' ' LEU . 2.8 m -70.64 -21.06 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 52.240000000000002 110.441 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.945 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.95 -15.44 31.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 54.329999999999998 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -81.2 -35.79 30.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.5 111.037 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 98' ' ' ILE . 56.3 tp -68.73 -65.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 44.32 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.81 -19.49 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 72.120000000000005 109.361 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.03 -35.45 80.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 54.520000000000003 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.92 -62.56 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 73.239999999999995 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -57.75 93.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 74.409999999999997 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.7 t -82.64 3.09 30.31 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.641 1.686 . . . . 72.439999999999998 109.957 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -118.59 -5.27 10.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 117.933 -1.032 . . . . 51.130000000000003 109.985 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.76 69.88 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 43.219999999999999 111.005 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.62 -22.96 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 0.702 . . . . 74.519999999999996 109.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.92 -1.83 14.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 64.25 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -143.03 156.14 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 73.340000000000003 109.335 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.592 HD12 HD21 ' A' ' 64' ' ' LEU . 2.0 mt -122.52 109.25 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.69 -162.49 27.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.459 1.099 . . . . 64.430000000000007 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -80.54 -36.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 0.793 . . . . 75.439999999999998 109.296 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -71.3 -20.25 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 70.319999999999993 109.324 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -95.29 -36.73 11.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 55.43 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 50.6 t80 -77.47 -29.77 52.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 62.539999999999999 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.618 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.22 -6.21 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 44.310000000000002 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -82.29 -55.26 4.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 34.409999999999997 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.6 ptm -48.68 -22.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 111.009 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 44' ' ' VAL . 4.1 pt -101.62 -45.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 109.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -58.85 -18.6 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 72.25 109.326 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 34.350000000000001 110.98 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.306 -0.627 . . . . 72.230000000000004 109.306 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.161 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -52.66 -19.79 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 111.001 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.67 -21.54 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 55.229999999999997 109.321 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -97.31 -48.31 5.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.450000000000003 110.033 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 6' ' ' VAL . 3.6 t -63.74 -62.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 36' ' ' LEU . 11.3 mt -107.28 -179.54 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 109.237 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 10.0 mmmm -84.24 120.79 26.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.333 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -59.41 -24.19 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 109.342 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.25 -19.25 39.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 63.229999999999997 109.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 62.8 mm-40 -87.23 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' ALA . 16.3 m -44.46 -31.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.333 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.84 -51.04 9.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 75.230000000000004 110.411 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -61.62 -31.28 71.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 34.450000000000003 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.53 -20.21 60.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.9 mt -88.57 -42.6 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.286 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.23 -29.38 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.318 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.06 -4.65 68.36 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 64.549999999999997 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -128.1 22.23 6.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.298 -1.001 . . . . 74.340000000000003 108.298 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -84.34 -15.81 45.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.313 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -95.33 112.36 24.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 109.27 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.47 140.06 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.281 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.8 62.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 33.229999999999997 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.9 t -128.43 7.13 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 70.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 19.6 t80 -89.42 138.89 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -136.28 97.18 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 50.1 p-80 -39.97 -56.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 109.582 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -48.31 -44.8 34.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.549999999999997 109.28 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ALA . 8.1 mmmm -62.74 -61.97 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 72.400000000000006 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.7 t80 -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 63.109999999999999 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.1 m-85 -55.86 -36.1 67.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 75.329999999999998 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -73.82 -17.33 61.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 75.230000000000004 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -81.16 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 60.450000000000003 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.998 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.2 p -64.24 -21.05 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 108.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 94.63 -5.74 70.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 70.109999999999999 110.984 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.998 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.3 mt -41.97 -28.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 75.439999999999998 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -64.96 -49.37 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 110.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -89.39 6.61 83.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.438 1.086 . . . . 70.219999999999999 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -72.64 -171.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 63.140000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.976 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.1 m -97.87 152.75 18.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 63.100000000000001 109.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -9.77 47.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 54.240000000000002 110.371 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -75.52 -63.4 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 71.140000000000001 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 40' ' ' SER . 90.5 t -47.98 -39.73 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -69.08 -32.98 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.4 mmmm -79.35 -21.11 46.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -82.82 -32.46 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -62.51 -22.46 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 65.430000000000007 111.012 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.03 56.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 109.361 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.161 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -73.01 -49.65 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 71.129999999999995 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.98 HG23 ' OD1' ' A' ' 70' ' ' ASN . 2.5 mp -63.64 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.24 103.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 73.519999999999996 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 25.2 mt-30 -90.2 -15.44 31.43 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.594 1.664 . . . . 72.099999999999994 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p-10 -120.33 -22.22 6.61 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.924 -1.036 . . . . 55.310000000000002 109.961 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp 72.2 33.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.119999999999997 109.29 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -24.17 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 121.86 -23.18 7.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 71.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.9 m-85 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 71.319999999999993 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.677 ' O ' HG22 ' A' ' 59' ' ' ILE . 45.2 mt -123.52 76.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 64.150000000000006 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' GLY . 14.0 mp0 -50.69 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.150000000000006 110.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 96' ' ' GLY . 64.7 tt0 -57.61 -32.21 66.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 110.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.96 -17.08 62.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 74.519999999999996 110.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -94.42 -21.54 18.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 110.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.38 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 109.315 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -55.89 -19.1 10.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 69' ' ' GLN . 87.0 mt -92.83 27.59 2.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 67' ' ' PHE . 39.6 t80 -79.05 4.98 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.2 mt -106.31 -14.44 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 65.099999999999994 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.652 ' NE2' HD22 ' A' ' 66' ' ' LEU . 74.7 mt-30 -83.59 1.99 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.98 ' OD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -80.22 -49.87 11.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 109.344 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.789 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 60.5 m-85 -86.64 16.4 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.129999999999995 110.99 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 16.5 tttp -177.88 143.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.348 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.17 28.5 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 55.130000000000003 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.77 30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 64.310000000000002 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.51 156.92 19.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 75.030000000000001 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.06 173.81 5.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 74.420000000000002 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.96 145.47 41.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 44.130000000000003 109.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.667 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 2.8 mm? -64.03 175.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 70.030000000000001 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 31.3 t -87.92 -171.8 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 75.299999999999997 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.54 -33.29 58.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 65.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.33 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 51.149999999999999 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 9.1 mt-10 -48.42 -55.72 10.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 71.549999999999997 110.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.4 m -55.48 -38.85 69.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.407 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -56.82 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.310000000000002 109.281 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.841 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -61.53 -16.29 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -87.32 -33.89 19.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 61.409999999999997 111.012 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 35.3 tp -72.48 -64.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -55.72 -19.45 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.76 -54.12 40.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.08 -54.88 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 110.994 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.61 ' H ' HD11 ' A' ' 98' ' ' ILE . 1.9 t70 -51.9 123.21 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 63.409999999999997 109.295 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t -82.99 -54.34 5.14 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.642 1.687 . . . . 71.230000000000004 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.444 ' OD2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -91.03 10.71 25.58 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.911 -1.043 . . . . 43.140000000000001 109.997 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 37.67 51.93 1.92 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 43.549999999999997 111.043 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.444 ' CB ' ' OD2' ' A' ' 93' ' ' ASP . 7.7 p30 -79.2 -23.08 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 74.109999999999999 109.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' GLU . . . 117.27 2.79 17.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 52.539999999999999 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -130.6 144.16 51.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 72.329999999999998 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.671 HD12 HD21 ' A' ' 64' ' ' LEU . 3.9 mt -129.17 102.87 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.5 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -72.9 -162.83 6.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 73.540000000000006 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -82.64 -38.17 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 73.140000000000001 109.296 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -29.53 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 54.210000000000001 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.12 -44.35 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 110.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 55.4 t80 -63.13 -28.97 70.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.88 -10.65 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.12 -53.93 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 60.100000000000001 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 8.0 ptm -51.5 -18.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.239999999999995 111.018 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.648 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -107.13 -34.85 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 63.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 47.2 tttt -72.54 -13.72 61.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 43.530000000000001 111.069 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.95 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.629 . . . . 60.299999999999997 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.128 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.3 m-85 -54.37 -18.46 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.340000000000003 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -21.36 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -93.98 -49.38 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 70.219999999999999 110.033 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 50' ' ' ILE . 3.4 t -63.89 -63.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 34' ' ' CYS . 5.8 mt -111.23 -176.39 2.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 12' ' ' VAL . 4.1 mptt -72.34 147.71 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 70.129999999999995 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -81.95 -29.27 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 53.200000000000003 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.89 24.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.519999999999996 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 46.3 mm-40 -67.52 -57.59 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 63.439999999999998 110.255 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.732 HG12 ' SG ' ' A' ' 34' ' ' CYS . 19.4 m -53.54 -34.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.2 m -56.91 -48.58 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 70.010000000000005 110.361 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.02 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -87.53 -25.04 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 62.140000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.544 HD11 ' CB ' ' A' ' 71' ' ' PHE . 12.1 mt -76.59 -34.21 58.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 71.030000000000001 109.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.66 -25.37 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 65.420000000000002 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.09 0.41 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.4 p -134.88 22.06 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 65.030000000000001 108.27 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -83.77 -15.57 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 70.25 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.751 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -101.29 103.14 14.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 54.140000000000001 109.347 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.62 132.97 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.349999999999994 109.26 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.32 24.26 76.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.751 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 2.8 p -132.97 8.59 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 72.310000000000002 109.976 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.0 t80 -83.74 136.9 33.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.349999999999994 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -135.03 96.42 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 26.8 p-80 -42.07 -59.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 65.099999999999994 109.588 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mmmm -44.13 -45.46 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 64.049999999999997 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 17.1 mmtp -64.62 -39.22 93.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 t80 -59.9 -62.81 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 61.32 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.7 m-85 -61.06 -36.7 80.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.439999999999998 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.7 tttm -74.82 -20.39 59.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 64.430000000000007 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -79.96 -51.5 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.039999999999999 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.732 ' SG ' HG12 ' A' ' 12' ' ' VAL . 10.1 t -76.4 -25.66 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 108.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 105.07 -11.53 48.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 70.209999999999994 110.994 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.3 mt -40.21 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 65.430000000000007 109.314 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.6 t -72.91 124.58 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.976 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.61 7.36 71.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -76.21 -171.57 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.959 ' O ' HG23 ' A' ' 44' ' ' VAL . 48.5 m -98.03 151.28 20.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 51.140000000000001 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.717 HG22 ' HD2' ' A' ' 45' ' ' LYS . 86.9 m -64.71 -20.89 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 110.39 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.16 -54.38 38.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 63.329999999999998 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.9 pt-20 -72.28 -44.43 62.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 40' ' ' SER . 74.5 t -47.22 -41.68 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 64.310000000000002 109.343 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.717 ' HD2' HG22 ' A' ' 41' ' ' THR . 5.0 mtpm? -60.35 -35.75 76.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 54.32 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.9 mmmm -72.57 -41.52 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 64.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.5 72.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 71.239999999999995 109.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 61.7 t80 -64.5 -22.16 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 74.25 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.12 -16.58 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 63.530000000000001 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.128 HG21 ' CD1' ' A' ' 3' ' ' PHE . 16.7 mm -69.83 -49.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 65.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.037 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.6 mp -62.52 -65.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 61.399999999999999 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 82.9 m-20 -40.4 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.341 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -92.33 -14.69 28.38 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 123.624 1.678 . . . . 74.219999999999999 110.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -120.59 -13.44 8.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.873 -1.06 . . . . 74.329999999999998 109.961 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp 61.27 36.87 17.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 61.140000000000001 109.31 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.428 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.3 p -57.07 -41.89 79.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 141.75 -21.39 2.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 74.140000000000001 111.039 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 36.9 m-85 -147.76 -175.39 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 61.210000000000001 110.981 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 59' ' ' ILE . 31.0 mt -119.91 77.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.1 mp0 -52.41 158.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 110.238 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -44.73 -36.49 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 71.510000000000005 110.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.7 -39.43 93.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' GLU . 48.1 mt-10 -69.86 -38.96 76.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 98' ' ' ILE . 12.6 mt -49.92 -62.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 34.530000000000001 109.269 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -52.98 -21.35 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.515 HD22 ' OE1' ' A' ' 69' ' ' GLN . 24.0 mt -96.66 27.46 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 70.150000000000006 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 23.0 t80 -71.52 -3.57 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 76' ' ' ARG . 13.5 mt -100.12 -21.25 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.515 ' OE1' HD22 ' A' ' 66' ' ' LEU . 22.5 mt-30 -79.26 1.44 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 1.037 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -80.43 -48.69 12.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 73.329999999999998 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 73.0 m-85 -85.53 14.56 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 54.539999999999999 110.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 2.1 ttpm? -178.04 141.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.18 29.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 72.540000000000006 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.09 27.18 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -82.47 175.05 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 65.120000000000005 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -88.98 -172.93 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.010000000000005 110.323 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -121.03 145.38 47.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 75.430000000000007 109.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.5 mm? -70.57 163.15 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.400000000000006 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.429 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 46.1 t -74.25 166.54 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 53.009999999999998 110.031 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.68 -25.08 64.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 109.35 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.62 -56.59 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 62.549999999999997 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 10.3 mt-10 -41.58 -48.87 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 110.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.5 m -65.11 -36.73 85.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 63.439999999999998 110.441 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.4 mmtt -61.99 -41.98 98.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 61.310000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -71.27 -42.83 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE2' ' CE ' ' A' ' 106' ' ' MET . 6.6 t80 -73.58 -11.6 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 110.984 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.809 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.8 tp -84.07 -53.73 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.02 -33.4 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.219999999999999 109.254 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -50.26 -31.11 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 74.540000000000006 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -115.57 -61.64 0.36 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 42.130000000000003 111.039 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 13.7 t0 -55.2 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 73.140000000000001 109.279 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -64.69 -54.63 28.54 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.651 1.691 . . . . 74.25 109.991 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 102' ' ' GLU . 11.9 p30 -71.01 -14.6 62.4 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.928 -1.034 . . . . 62.140000000000001 109.995 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.58 70.2 0.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 43.520000000000003 111.004 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.77 -14.92 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 64.340000000000003 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 1.49 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 111.025 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -146.2 167.85 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 73.510000000000005 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.898 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -127.73 107.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.26 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.81 -162.26 33.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 44.130000000000003 111.041 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -80.29 -38.71 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 72.540000000000006 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -17.01 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 93' ' ' ASP . 60.2 mt-10 -99.89 -40.11 7.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 110.239 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 57.7 t80 -75.95 -26.16 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 72.349999999999994 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.09 -11.14 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 60.229999999999997 109.328 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.26 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.519999999999996 109.264 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 4.2 ptm -50.32 -19.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 63.43 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.718 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -106.41 -37.47 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 60.43 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 19.6 tttm -69.38 -13.9 62.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 51.43 111.013 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.296 -0.631 . . . . 73.109999999999999 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.209 ' CD1' HG21 ' A' ' 50' ' ' ILE . 3.2 m-85 -66.67 -8.56 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -49.18 146.85 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 45.219999999999999 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 1.1 m 84.06 -0.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.34 -61.68 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 63.409999999999997 109.307 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.329999999999998 109.334 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . 23.4 tttt -79.25 119.41 22.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 65.430000000000007 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.25 -21.28 63.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 62.350000000000001 109.269 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -16.85 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 62.310000000000002 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 22.3 mm-40 -88.0 -64.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 23.32 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -41.89 -29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 61.329999999999998 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -49.67 -51.03 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 61.119999999999997 110.431 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -60.62 -36.29 78.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 41.509999999999998 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -64.71 -20.86 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 43.350000000000001 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 71' ' ' PHE . 14.4 mt -86.05 -51.84 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 65.340000000000003 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.47 -11.46 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 72.439999999999998 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -63.25 -11.41 39.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 35.409999999999997 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -132.78 21.76 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.331 -0.989 . . . . 74.400000000000006 108.331 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -44.08 -46.06 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 122.42 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.285 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.68 121.1 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 60.509999999999998 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 101.73 10.86 39.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 44.119999999999997 110.957 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -133.04 22.56 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 64.109999999999999 110.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 32.1 t80 -78.51 139.2 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -134.18 81.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.230000000000004 109.307 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 33.3 p-80 -39.86 -55.3 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 70.430000000000007 109.62 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 35.3 mmtt -47.7 -46.06 29.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 61.200000000000003 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 16.5 mmtp -61.98 -49.92 74.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 73.219999999999999 109.265 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.7 t80 -47.34 -62.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 74.420000000000002 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.8 m-85 -58.7 -42.77 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 53.109999999999999 111.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.42 -17.4 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -79.28 -62.0 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 63.399999999999999 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.679 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.9 p -65.47 -15.57 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 108.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 92.83 -5.3 76.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 75.319999999999993 111.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.2 mt -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.430000000000007 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.3 t -66.83 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.520000000000003 109.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.1 -7.58 57.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 72.209999999999994 110.944 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -63.15 -178.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 64.420000000000002 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.7 m -91.71 144.28 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.9 HG22 ' HZ1' ' A' ' 45' ' ' LYS . 22.7 m -63.45 -12.49 31.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 110.467 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -71.48 -55.27 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.274 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.3 pt-20 -61.47 -35.41 77.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 72.400000000000006 110.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.772 HG11 HD11 ' A' ' 107' ' ' ILE . 92.3 t -50.68 -35.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.430000000000007 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.9 ' HZ1' HG22 ' A' ' 41' ' ' THR . 26.6 mttp -68.9 -31.3 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.130000000000003 109.354 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -86.04 -20.62 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 109.285 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -83.65 -29.5 27.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 62.509999999999998 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.32 -36.06 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 64.129999999999995 111.011 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.8 -14.22 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 55.229999999999997 109.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.209 HG21 ' CD1' ' A' ' 3' ' ' PHE . 31.1 mm -69.0 -62.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.029 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.9 mp -46.52 -59.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' CE ' ' A' ' 55' ' ' LYS . 25.5 m-20 -40.52 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -88.92 -20.25 24.76 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.623 1.677 . . . . 64.25 110.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 56' ' ' SER . 2.8 p30 -117.77 -11.29 10.36 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.923 -1.037 . . . . 62.329999999999998 110.018 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 27.2 mmtm 58.38 57.07 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.298 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.442 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -81.58 -25.52 35.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 45.130000000000003 109.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.62 -33.84 3.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 31.039999999999999 111.027 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -130.02 178.03 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.540000000000006 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 22.6 mt -116.94 80.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 109.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -45.47 170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 73.430000000000007 110.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.18 -39.23 86.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.87 -19.15 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 71.099999999999994 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 26.9 mt-10 -89.49 -29.14 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 51.219999999999999 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.84 HD21 HD12 ' A' ' 98' ' ' ILE . 18.7 mt -54.28 -60.22 3.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 70.25 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 13.3 ptmt -51.62 -22.3 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 77' ' ' ALA . 16.1 mt -92.93 27.31 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 71.310000000000002 109.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 30.1 t80 -69.59 -5.84 27.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.626 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 67.5 mt -99.11 -17.53 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.420000000000002 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 66' ' ' LEU . 62.2 mt-30 -82.68 1.61 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 1.029 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.43 -49.06 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' HB2' HD21 ' A' ' 16' ' ' LEU . 74.7 m-85 -83.16 11.19 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 111.014 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 11.0 tttm -177.37 146.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 72.200000000000003 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.66 73.3 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 162.31 -26.86 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.78 144.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 62.409999999999997 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -57.67 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 71.329999999999998 110.263 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 66' ' ' LEU . . . -130.63 125.36 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 52.009999999999998 109.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.1 mm? -40.18 158.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 109.344 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 t -70.94 -172.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 64.340000000000003 110.046 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.42 -31.87 54.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 63.149999999999999 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.38 -38.58 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 71.299999999999997 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 25.2 mt-10 -61.99 -46.5 88.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.319999999999993 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 65' ' ' LYS . 66.0 m -70.13 -22.52 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 55.43 110.382 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -64.81 -58.96 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 52.229999999999997 109.326 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.773 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.55 -17.28 62.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 63.329999999999998 109.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.461 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -82.76 -39.99 21.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 111.014 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.5 tp -60.04 -64.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 70.400000000000006 109.276 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -40.61 73.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 73.319999999999993 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -40.74 -47.62 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.14 -65.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 75.120000000000005 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 4.5 t0 -65.73 93.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 73.319999999999993 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.0 t -100.65 5.36 43.79 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 123.664 1.697 . . . . 62.409999999999997 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.58 -7.62 21.66 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.903 -1.046 . . . . 62.119999999999997 109.948 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.34 51.11 55.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 70.019999999999996 110.99 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.77 -15.65 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 71.219999999999999 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' N ' ' OD2' ' A' ' 91' ' ' ASP . . . 89.74 -26.84 8.75 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 72.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 13.9 mtmm -108.35 150.58 27.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 54.520000000000003 109.266 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.84 HD12 HD21 ' A' ' 64' ' ' LEU . 4.6 mt -115.88 124.53 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 62.329999999999998 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -97.99 -162.52 30.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 54.539999999999999 111.002 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -80.96 -44.05 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 61.329999999999998 109.254 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -31.51 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 61.310000000000002 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.4 mt-10 -87.4 -46.94 9.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.3 t80 -59.25 -31.18 68.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.58 -4.47 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 63.210000000000001 109.259 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -84.84 -54.4 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 64.030000000000001 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -52.02 -21.32 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 62.310000000000002 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.772 HD11 HG11 ' A' ' 44' ' ' VAL . 15.1 pt -97.2 -43.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 109.284 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -66.96 -16.17 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.329999999999998 109.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 52.399999999999999 110.97 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.851 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 71.120000000000005 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.15 ' CD1' HG21 ' A' ' 50' ' ' ILE . 12.8 m-85 -69.06 -8.11 42.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 64.519999999999996 111.039 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.71 -15.19 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.420000000000002 109.283 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.29 -37.78 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 71.319999999999993 110.011 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 7' ' ' LEU . 59.4 t -63.65 -62.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 62.43 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.0 mt -112.38 -176.5 2.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.42 119.66 30.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 52.439999999999998 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.26 -22.24 6.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.77 -35.54 44.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -72.64 -65.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.6 m -47.7 -36.77 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 64.120000000000005 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -54.24 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 110.372 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.32 65.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 109.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -76.12 -21.93 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.94 -42.34 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.549999999999997 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.04 -15.7 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.35 -4.26 88.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 110.954 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -135.62 25.86 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.002 . . . . 73.120000000000005 108.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -78.15 -15.81 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -94.37 118.81 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 54.539999999999999 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.66 152.04 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 48.64 22.68 2.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 55.399999999999999 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -127.77 13.72 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 71.120000000000005 110.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t80 -92.71 141.21 28.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 52.219999999999999 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -134.65 94.95 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 64.219999999999999 109.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 18.9 p-80 -39.92 -62.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 4.9 mmmt -42.63 -55.75 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -49.28 -56.86 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 44.229999999999997 109.323 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 2.1 t80 -41.12 -63.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 74.019999999999996 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 65.6 m-85 -57.41 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 65.239999999999995 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 6.3 tttp -77.4 -17.26 58.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 109.338 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.15 -62.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 70.109999999999999 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.7 p -63.69 -20.62 65.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.049999999999997 108.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.63 5.6 58.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' SG ' ' A' ' 34' ' ' CYS . 13.1 mt -62.02 -16.68 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 75.140000000000001 109.378 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -72.6 -10.5 59.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.420000000000002 109.978 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.44 10.14 3.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 65.200000000000003 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 12.5 mmtt -66.53 174.91 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 74.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.1 m -79.06 140.65 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 64.219999999999999 109.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -63.3 -12.17 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.71 -53.05 6.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 72.540000000000006 109.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.3 pt-20 -65.41 -39.24 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 64.010000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 107' ' ' ILE . 50.1 t -47.07 -47.94 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 55.25 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 49.8 mttm -57.89 -31.88 67.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 62.130000000000003 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.9 mmmm -80.54 -22.4 40.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 109.261 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -78.31 -40.04 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.25 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -63.16 -20.63 65.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 110.981 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 109.309 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.15 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.9 mm -79.93 -56.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 52.149999999999999 109.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -60.87 -56.31 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 62.32 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -40.45 103.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 71.400000000000006 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.9 mt-30 -95.93 -21.2 18.19 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.582 1.658 . . . . 75.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -113.73 -2.98 13.59 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.882 -1.056 . . . . 44.210000000000001 109.973 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt 47.94 43.98 18.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.439999999999998 109.279 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -64.24 -12.0 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 34.039999999999999 110.014 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 109.17 -26.79 14.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 63.119999999999997 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.4 m-85 -144.32 179.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 74.140000000000001 111.012 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.32 84.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 109.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 175.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 110.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HG2' HG22 ' A' ' 83' ' ' THR . 14.8 tt0 -55.18 -53.27 58.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 110.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 16.8 mt-10 -52.69 -23.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.5 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.25 -25.82 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.319999999999993 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.56 ' CB ' HG23 ' A' ' 83' ' ' THR . 15.0 mt -59.05 -51.37 70.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 109.324 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 62' ' ' GLU . 6.6 ptpp? -58.35 -17.42 19.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.510000000000005 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.92 27.43 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 64.099999999999994 109.255 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 49.0 t80 -76.91 1.93 16.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 42.329999999999998 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 67' ' ' PHE . 13.5 mt -118.08 -7.76 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -88.76 1.55 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 50.439999999999998 110.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.754 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.5 p-10 -86.14 -45.29 11.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.400000000000006 109.251 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CD2' ' ND2' ' A' ' 70' ' ' ASN . 51.3 m-85 -82.99 8.59 12.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 111.009 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.52 159.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.42 31.55 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.311 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.88 24.64 0.49 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 43.299999999999997 111.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -88.63 164.84 15.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 0.717 . . . . 41.43 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.21 163.12 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.33 147.89 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 64.409999999999997 109.294 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 2.7 mm? -71.28 156.61 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.3 t -67.76 -177.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 64.099999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 4.6 m-20 -71.87 -24.41 61.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.18 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 59.8 mt-10 -57.3 -30.12 64.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 64' ' ' LEU . 29.8 m -87.96 -15.6 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.439999999999998 110.404 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 4.9 mtpm? -77.35 -65.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 73.299999999999997 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -47.3 -42.03 20.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -58.85 -34.25 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.310000000000002 111.007 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.9 tp -68.19 -62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -19.47 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 52.439999999999998 109.342 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.39 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.95 -48.78 6.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 35.219999999999999 110.993 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -66.58 85.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.759 . . . . 74.519999999999996 109.345 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.46 5.39 27.58 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 123.652 1.691 . . . . 73.049999999999997 109.997 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -122.0 0.4 9.66 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.923 -1.037 . . . . 74.299999999999997 109.972 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.05 69.94 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 72.510000000000005 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -99.48 -23.04 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 74.510000000000005 109.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.77 -10.43 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 111.033 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HG3' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.66 166.76 32.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 74.510000000000005 109.255 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.46 127.49 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 65.299999999999997 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.81 -165.46 35.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 60.130000000000003 110.967 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.499 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -81.02 -43.91 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 71.129999999999995 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.67 -24.51 61.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 109.285 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -92.26 -49.72 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 73.030000000000001 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -57.33 -30.23 64.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 51.350000000000001 111.024 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -85.75 -12.87 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.540000000000006 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.09 -50.56 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 60.520000000000003 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptm -56.91 -31.59 65.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 50.43 111.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 44' ' ' VAL . 13.9 pt -83.42 -54.04 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 71.329999999999998 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -54.59 -27.53 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 31.010000000000002 111.019 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.886 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.28 -0.637 . . . . 70.400000000000006 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.155 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.4 m-85 -53.81 -19.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.87 -22.71 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.020000000000003 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -104.0 -38.25 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.209999999999994 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 50' ' ' ILE . 43.6 t -64.67 -62.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 75.150000000000006 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 36' ' ' LEU . 10.4 mt -115.12 176.9 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -78.95 116.53 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 54.210000000000001 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.51 -15.81 30.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -26.37 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 63.310000000000002 109.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.17 -66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 m -45.44 -36.7 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -52.65 -58.94 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.25 -29.69 65.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 62.520000000000003 109.324 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 71' ' ' PHE . 2.6 mt -82.1 -36.41 27.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.35 -15.62 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.25 -7.07 62.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 70.230000000000004 111.022 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.29 29.86 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.249 -1.019 . . . . 72.0 108.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.0 -46.75 83.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.92 136.71 48.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.21 157.94 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 61.310000000000002 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.09 21.48 17.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 110.993 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 p -132.45 13.18 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 73.340000000000003 109.994 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 3.4 t80 -91.95 136.44 33.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 62.32 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -134.48 93.02 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 64.200000000000003 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASP . 13.8 p80 -39.87 -60.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 109.567 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 -44.89 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 63.450000000000003 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' ASP . 24.4 mmtp -66.69 -59.23 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 64.019999999999996 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 22.7 t80 -38.46 -60.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 107' ' ' ILE . 18.2 m-85 -49.65 -39.69 37.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.409999999999997 111.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.1 mmmt -76.35 -22.96 54.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 75.019999999999996 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PHE . . . -81.28 -28.36 34.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 62.520000000000003 109.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 30' ' ' PHE . 3.3 m -95.64 -23.93 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 108.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 99.53 -13.9 60.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.544 1.152 . . . . 63.520000000000003 110.985 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 7' ' ' LEU . 4.5 mt -44.33 -27.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 73.540000000000006 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -45.63 87.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 110.002 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -92.07 8.49 77.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 73.319999999999993 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 20.1 mmtt -77.89 -179.61 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 73.129999999999995 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.8 m -97.16 137.64 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 109.969 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -26.23 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 110.415 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.7 -63.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -61.26 -37.27 82.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 110.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.737 HG13 HD11 ' A' ' 107' ' ' ILE . 55.8 t -45.2 -43.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 71.120000000000005 109.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -68.6 -37.2 79.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.2 mmmt -71.79 -20.46 61.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 71.439999999999998 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -85.3 -34.35 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 62.409999999999997 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.5 t80 -63.46 -21.03 66.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 63.420000000000002 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.42 -7.42 58.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.275 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.155 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.2 mm -75.53 -51.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -65.28 -63.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 109.234 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.62 92.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 63.149999999999999 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -82.7 -24.38 33.67 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 123.549 1.643 . . . . 72.099999999999994 110.255 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 1.6 p30 -70.82 -40.02 72.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.869 -1.062 . . . . 75.239999999999995 110.004 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.1 OUTLIER 73.94 51.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 71.310000000000002 109.294 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -80.88 -30.73 35.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 45.350000000000001 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.57 -35.31 2.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 110.996 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -136.53 141.78 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 71.230000000000004 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 59' ' ' ILE . 7.3 mt -72.07 80.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.33 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' GLU . 37.1 mt-10 -52.78 152.81 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 52.340000000000003 110.323 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.972 ' OE1' HD22 ' A' ' 87' ' ' LEU . 3.4 tp10 -44.1 -26.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 73.340000000000003 110.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.9 mt-10 -62.29 -52.98 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -69.03 -26.29 64.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 74.25 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' OE2' ' A' ' 61' ' ' GLU . 10.4 mt -56.18 -53.48 56.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.287 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 83' ' ' THR . 4.7 ptpt -64.71 -12.46 47.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -101.94 27.32 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 64.219999999999999 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.852 ' HB3' HD21 ' A' ' 78' ' ' LEU . 70.2 t80 -67.73 -7.51 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 44.439999999999998 111.062 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.75 HD22 HD23 ' A' ' 16' ' ' LEU . 13.7 mt -104.84 -27.26 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 73.6 mt-30 -78.16 1.76 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 64.439999999999998 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.9 p-10 -78.97 -49.15 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.833 ' CB ' HD11 ' A' ' 16' ' ' LEU . 95.0 m-85 -85.93 15.16 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.5 111.001 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 21.2 tttt -177.38 139.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.15 72.41 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 71.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 160.12 -25.79 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 70.239999999999995 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -40.05 143.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 72.150000000000006 109.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.83 167.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.200000000000003 110.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.75 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.325 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.852 HD21 ' HB3' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -43.92 165.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 74.530000000000001 109.285 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -76.94 -173.26 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 65.5 110.019 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.68 -24.91 58.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 54.329999999999998 109.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -56.6 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 63.32 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -43.82 -49.14 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.525 HG21 ' HB3' ' A' ' 65' ' ' LYS . 90.1 m -60.56 -34.31 73.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.120000000000005 110.398 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' ALA . 51.7 mttt -67.55 -41.76 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.57 -49.05 70.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 63.219999999999999 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -69.57 -12.72 61.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 73.530000000000001 110.954 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.972 HD22 ' OE1' ' A' ' 61' ' ' GLU . 25.8 tp -83.14 -59.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -68.21 -30.81 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -48.54 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 64.340000000000003 109.325 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.25 -49.84 6.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 33.030000000000001 110.983 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.533 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.7 t0 -69.67 115.23 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 74.439999999999998 109.348 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -100.35 -12.56 19.34 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.681 . . . . 62.130000000000003 109.997 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.2 p-10 -100.47 -11.29 20.29 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.875 -1.059 . . . . 72.430000000000007 109.97 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.8 69.34 0.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.947 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -108.6 -21.47 12.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 0.788 . . . . 74.049999999999997 109.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.46 4.08 15.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 61.439999999999998 111.018 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -145.34 152.12 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 74.140000000000001 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.533 HD11 ' H ' ' A' ' 91' ' ' ASP . 1.4 mt -119.79 119.91 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 109.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.44 -174.57 48.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 73.299999999999997 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -77.8 -36.74 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 65.430000000000007 109.251 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.18 -15.3 62.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 109.271 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -101.95 -35.98 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 17.8 t80 -80.08 -25.36 40.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 73.200000000000003 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.04 -11.95 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.51 -53.74 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.493 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.2 ptm -49.15 -20.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.210000000000001 111.006 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.737 HD11 HG13 ' A' ' 44' ' ' VAL . 1.4 pt -105.45 -39.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 52.530000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 16.0 tttp -66.97 -13.98 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 62.039999999999999 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 42.329999999999998 110.998 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.955 ' CB ' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 73.450000000000003 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.804 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.4 m-85 -77.15 -4.66 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 72.239999999999995 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -15.58 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 45.240000000000002 109.251 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -114.86 -37.45 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 63.439999999999998 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 1.05 HG21 HD11 ' A' ' 50' ' ' ILE . 46.1 t -64.08 -62.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.019999999999996 109.266 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 34' ' ' CYS . 8.7 mt -117.35 -177.34 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -87.42 122.71 31.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.87 -17.79 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -30.67 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.59 -65.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.219999999999999 110.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.7 m -44.13 -38.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 63.32 109.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.1 m -50.49 -50.73 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 64.329999999999998 110.401 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.51 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 44.219999999999999 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -75.95 -20.58 57.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 73.510000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 68' ' ' LEU . 12.5 mt -83.42 -53.13 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.340000000000003 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.84 -16.4 61.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 72.019999999999996 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.06 -3.94 88.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 111.061 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -136.44 25.21 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.012 . . . . 52.229999999999997 108.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -81.56 109.58 16.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.321 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.56 140.28 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.200000000000003 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 59.28 18.3 42.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 111.015 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.648 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -123.67 11.57 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 71.140000000000001 110.003 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 8.1 t80 -88.42 144.58 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 110.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.53 152.33 50.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.530000000000001 109.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 31.7 p-80 -84.19 -62.78 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.62 -45.9 63.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 60.340000000000003 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' ALA . 31.2 mmtp -46.97 -66.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.409999999999997 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t80 -42.4 -62.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.423 ' CD2' HG23 ' A' ' 107' ' ' ILE . 22.2 m-85 -57.9 -23.61 53.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -86.68 -17.47 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.25 109.321 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -84.65 -58.15 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 109.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.875 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.5 p -66.34 -26.96 67.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 71.420000000000002 108.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.08 15.88 37.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 35.530000000000001 110.979 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.875 HD12 ' SG ' ' A' ' 34' ' ' CYS . 1.7 mt -61.56 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 74.120000000000005 109.299 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -56.48 114.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 4.57 54.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 45.200000000000003 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -72.32 -171.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 73.239999999999995 109.339 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -97.38 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.109999999999999 109.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.529 HG23 ' HZ3' ' A' ' 45' ' ' LYS . 1.5 m -52.68 -20.16 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.379 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -65.99 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -62.99 -41.39 99.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.329999999999998 110.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.773 HG13 HD11 ' A' ' 107' ' ' ILE . 55.3 t -47.95 -33.48 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 42.009999999999998 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HZ3' HG23 ' A' ' 41' ' ' THR . 18.7 mttp -75.14 -35.55 61.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 53.340000000000003 109.332 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 5.9 mmmm -75.41 -21.13 58.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 70.120000000000005 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.6 -29.94 41.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 41.25 109.319 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 59' ' ' ILE . 24.6 t80 -74.4 -25.5 59.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 64.200000000000003 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -3.61 33.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 61.310000000000002 109.28 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 6' ' ' VAL . 4.7 mt -83.5 -63.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 74.420000000000002 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.3 mp -53.9 -33.69 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.32 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 3.3 t0 -70.96 102.06 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 52.310000000000002 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.38 -12.9 12.31 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.667 1.699 . . . . 74.540000000000006 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 7.5 p-10 -105.94 8.26 32.45 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.872 -1.061 . . . . 74.230000000000004 109.981 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.2 mmtp 36.44 53.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 63.210000000000001 109.314 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 p -81.71 -27.09 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 107.93 -5.26 34.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 54.049999999999997 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 15.3 m-85 -159.99 -171.78 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 72.420000000000002 111.003 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 59' ' ' ILE . 23.2 mt -124.85 75.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 72.400000000000006 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.0 mp0 -54.74 160.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.049999999999997 110.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -44.61 -32.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.293 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.42 -41.08 80.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.439999999999998 110.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' GLU . 22.6 mt-10 -72.64 -29.12 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 72.439999999999998 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.99 -49.69 76.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 55.009999999999998 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -65.15 -12.36 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 63.109999999999999 109.303 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.07 26.58 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.310000000000002 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 86' ' ' PHE . 86.2 t80 -71.15 -4.33 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.5 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 16' ' ' LEU . 14.4 mt -105.98 -25.99 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 63.030000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 37.4 mt-30 -78.25 1.54 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 42.43 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.471 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 p-10 -80.78 -48.99 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 92.6 m-85 -83.79 11.2 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 72.299999999999997 111.021 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 28.4 tptt -174.99 141.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.28 24.18 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.09 20.24 0.96 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 71.519999999999996 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -78.78 172.74 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 74.030000000000001 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 77' ' ' ALA . 1.4 ppt_? -94.24 179.61 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.400000000000006 110.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.649 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -107.03 150.46 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.310000000000002 109.331 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.9 mm? -73.97 152.6 40.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.030000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' GLU . 29.2 t -60.82 144.95 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 109.977 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.27 -27.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -85.48 -43.4 13.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 109.297 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.487 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 84.1 mt-10 -55.86 -48.38 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 65' ' ' LYS . 51.1 m -65.07 -17.97 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.510000000000005 110.386 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -42.24 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 64.439999999999998 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.95 -46.95 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 62.329999999999998 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' A' ' 67' ' ' PHE . 6.9 t80 -66.1 -17.54 64.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 64' ' ' LEU . 39.7 tp -78.27 -63.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -20.51 62.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 73.040000000000006 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.11 -29.46 69.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 61.439999999999998 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.92 -71.56 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.972 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.507 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.4 t0 -47.0 121.96 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 74.25 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -100.52 -12.47 19.27 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.579 1.656 . . . . 62.329999999999998 109.995 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 10.9 p-10 -101.52 -13.33 17.94 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.886 -1.054 . . . . 74.450000000000003 110.001 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.4 54.39 27.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 61.399999999999999 111.007 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.53 -23.09 16.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 74.319999999999993 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.96 -7.49 16.98 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.469 1.106 . . . . 44.450000000000003 111.0 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -123.87 152.59 42.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 74.510000000000005 109.287 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 HD21 ' A' ' 64' ' ' LEU . 1.9 mt -125.87 107.21 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -165.18 26.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 110.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.26 -38.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 75.409999999999997 109.333 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -17.73 63.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 54.119999999999997 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.17 -39.53 8.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 110.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.404 ' O ' ' HG2' ' A' ' 106' ' ' MET . 42.7 t80 -75.85 -26.15 56.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.77 -10.19 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 71.400000000000006 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.44 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 4.5 ptm -49.66 -20.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 63.200000000000003 110.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.773 HD11 HG13 ' A' ' 44' ' ' VAL . 2.0 pt -104.96 -38.04 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.275 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 45.1 tttt -68.77 -13.77 62.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 64.319999999999993 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 73.319999999999993 110.996 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 1.033 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 70.430000000000007 109.307 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.9 m-85 -53.15 -19.88 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 111.006 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.38 -21.84 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 41.520000000000003 109.314 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -99.41 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 64.5 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 50' ' ' ILE . 11.7 t -63.88 -62.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 74.129999999999995 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 34' ' ' CYS . 13.0 mt -106.29 -176.83 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 ttmp? -89.12 121.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.319 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.2 p30 -47.88 -27.43 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.519999999999996 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.15 -40.28 46.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 53.219999999999999 109.272 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LYS . 35.3 mm-40 -65.68 -54.54 26.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 55.310000000000002 110.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.1 m -61.02 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 62.329999999999998 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -46.54 -52.0 14.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 71.430000000000007 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.85 65.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 62.409999999999997 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -73.3 -25.09 60.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 63.219999999999999 109.251 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.31 -30.52 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 109.253 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.73 -15.9 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 71.099999999999994 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.81 -17.19 52.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 43.009999999999998 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -126.89 23.82 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.307 -0.998 . . . . 63.5 108.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -73.01 -41.99 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 72.129999999999995 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 158.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 64.040000000000006 109.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.4 155.59 27.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 70.200000000000003 109.31 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 42.97 27.32 0.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 62.240000000000002 110.971 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -128.87 11.47 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 64.140000000000001 110.012 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 t80 -86.29 122.99 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 111.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.61 91.66 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.327 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 4.2 p80 -40.08 -61.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 64.019999999999996 109.569 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -40.49 -49.47 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -60.44 -54.21 48.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 1.4 t80 -42.62 -63.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.74 ' CD1' HG23 ' A' ' 107' ' ' ILE . 12.5 m-85 -56.82 -36.78 70.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.519999999999996 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -71.15 -21.1 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 75.129999999999995 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -77.31 -61.92 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 63.350000000000001 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.897 ' HB2' HD13 ' A' ' 7' ' ' LEU . 9.1 p -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.48 -14.07 60.96 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 75.010000000000005 111.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 34' ' ' CYS . 11.8 mt -40.24 -30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 71.340000000000003 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.9 t -70.09 98.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.399999999999999 109.969 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.68 0.95 36.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 51.299999999999997 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -61.5 -176.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 64.150000000000006 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -82.64 137.86 34.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 70.530000000000001 109.998 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 45' ' ' LYS . 1.4 m -59.13 -15.22 13.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.371 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.86 -56.24 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.26 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.3 pt-20 -63.74 -43.96 94.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' SER . 61.9 t -41.86 -43.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.299999999999997 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.618 ' HE3' HG22 ' A' ' 41' ' ' THR . 24.4 mttt -62.35 -46.42 88.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 72.349999999999994 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.6 mtmm -68.08 -20.53 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 109.339 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.99 -17.78 36.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 50.549999999999997 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 59' ' ' ILE . 38.5 t80 -85.4 -34.24 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -10.41 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.033 HG23 ' HB3' ' A' ' 2' ' ' ALA . 6.5 mt -68.84 -63.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.130000000000003 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.7 mp -48.85 -58.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 52.219999999999999 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -40.46 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.319999999999993 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -88.75 -16.81 31.25 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.662 1.696 . . . . 64.420000000000002 110.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 8.3 p-10 -117.56 -20.82 8.85 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.918 -1.039 . . . . 75.120000000000005 110.003 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm 69.86 31.87 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.308 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 p -50.86 -24.25 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 60.409999999999997 109.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 119.0 -20.95 9.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 74.25 111.041 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 25.2 m-85 -143.64 -179.13 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 73.129999999999995 110.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 59' ' ' ILE . 15.3 mt -119.31 77.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 60.229999999999997 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.9 mp0 -49.66 159.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 71.219999999999999 110.342 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLY . 27.9 tt0 -44.51 -44.78 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -58.88 -38.84 79.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.340000000000003 110.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' GLU . 18.6 mt-10 -65.65 -40.48 92.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 98' ' ' ILE . 20.4 mt -52.0 -48.01 64.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.682 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -60.23 -22.22 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.329 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 mt -93.52 27.41 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.254 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 25' ' ' PHE . 59.9 t80 -74.88 -0.46 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.019999999999996 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.3 mt -105.33 -27.03 11.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.57 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 79.3 mt-30 -78.75 1.59 22.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 7.7 p-10 -79.35 -48.48 13.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 73.5 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 95.6 m-85 -86.23 14.7 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 60.219999999999999 110.999 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 8.2 ttmt -176.86 139.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 64.049999999999997 109.303 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.88 14.11 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 62.32 109.3 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.41 28.63 1.93 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 111.025 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -81.09 -174.37 4.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 52.109999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HG3' HD12 ' A' ' 68' ' ' LEU . 12.4 ptt180 -105.57 -170.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 110.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 65' ' ' LYS . . . -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 62.509999999999998 109.255 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.4 mm? -69.41 151.59 45.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 109.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 147.36 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 109.983 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.58 -33.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -78.69 -52.75 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.010000000000005 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 92.3 mt-10 -46.09 -44.87 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 71.230000000000004 110.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 88.4 m -69.93 -27.21 64.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 72.450000000000003 110.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ALA . 11.2 mtmt -71.49 -44.88 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.294 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.09 -46.58 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 53.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CE1' ' CE ' ' A' ' 106' ' ' MET . 6.4 t80 -70.15 -13.14 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' THR . 18.9 tp -84.1 -62.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -63.98 -29.78 70.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.44 -29.46 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.25 109.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.5 -68.32 0.66 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 111.042 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.584 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.8 t0 -56.24 105.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 72.540000000000006 109.24 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -74.56 -30.29 61.67 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.635 1.683 . . . . 74.299999999999997 110.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 14.9 p-10 -89.56 -10.92 44.32 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.883 -1.056 . . . . 61.439999999999998 109.956 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 44.19 55.83 5.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 63.109999999999999 110.999 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -93.22 -22.94 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.769 . . . . 52.539999999999999 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 123.64 -13.97 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 64.140000000000001 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -121.33 143.41 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 74.329999999999998 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 64' ' ' LEU . 2.6 mt -119.28 104.72 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.240000000000002 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -74.8 -163.67 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -82.7 -46.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 73.239999999999995 109.253 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -56.03 -28.5 57.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.5 109.301 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 mt-10 -91.64 -48.05 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 47.3 t80 -59.63 -25.48 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.5 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -87.87 -10.15 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 54.329999999999998 109.292 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -78.05 -54.01 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 71.530000000000001 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.558 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.6 ptm -51.88 -18.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 61.43 111.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 31' ' ' PHE . 1.3 pt -106.97 -34.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 74.319999999999993 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 51.2 tttt -71.57 -15.31 62.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 54.130000000000003 111.03 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.936 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.321 -0.622 . . . . 73.299999999999997 109.321 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.2 m-85 -71.0 -6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.004 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.84 -14.83 37.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 53.409999999999997 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -49.08 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 110.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.94 -62.92 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 64.200000000000003 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD13 ' HB2' ' A' ' 34' ' ' CYS . 2.5 mt -110.24 174.55 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 63.530000000000001 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.24 132.82 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' THR . 52.5 m-20 -53.08 -38.02 62.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 64.109999999999999 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.2 87.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 52.140000000000001 109.284 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.92 -61.47 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 71.409999999999997 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 8.9 m -56.58 -34.79 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.209999999999994 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -50.78 -44.88 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.366 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.04 65.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 72.530000000000001 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.99 -21.19 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 74.109999999999999 109.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -30.92 22.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.420000000000002 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.95 -28.32 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 52.219999999999999 109.296 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 43.119999999999997 111.002 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -126.12 24.15 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.304 -0.999 . . . . 71.239999999999995 108.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -73.8 -22.74 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 62.25 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -84.57 139.87 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 53.210000000000001 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.42 139.54 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 109.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.75 18.47 56.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.977 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 p -111.77 -21.14 11.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 73.319999999999993 109.945 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 1.5 t80 -53.62 136.38 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 62.140000000000001 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 12.4 t0 -138.86 94.08 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 62.399999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 10.3 p80 -43.8 -56.69 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.624 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 10.7 ptmt -40.7 -47.72 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.540000000000006 109.313 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 7.2 mmpt? -66.05 -57.3 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 62.310000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 4.5 t80 -39.61 -63.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 9.0 m-85 -51.64 -35.54 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 73.019999999999996 111.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -77.47 -22.23 51.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 70.140000000000001 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.15 -61.88 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 61.020000000000003 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.859 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -61.85 -20.14 63.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.010000000000005 108.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.04 -10.32 60.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 34.119999999999997 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -40.21 -30.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.239999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.6 p -71.8 114.48 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 110.026 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.91 -16.35 60.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -54.8 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 72.319999999999993 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -97.92 138.07 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.998 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.664 HG22 ' HE3' ' A' ' 45' ' ' LYS . 2.8 m -53.38 -19.65 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 62.530000000000001 110.402 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -62.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.2 pt-20 -58.7 -43.18 89.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.705 HG13 HD11 ' A' ' 107' ' ' ILE . 56.1 t -40.47 -50.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 41' ' ' THR . 19.2 mttt -61.25 -52.57 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 109.299 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -57.67 -20.48 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.33 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.1 -37.91 18.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 54.43 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 9.0 t80 -66.26 -20.9 66.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.15 -5.86 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 12.0 mm -75.86 -53.68 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.200000000000003 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.67 -65.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 109.339 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -40.16 103.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -89.13 -15.12 34.61 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 123.634 1.683 . . . . 72.549999999999997 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.8 p-10 -118.52 -3.03 10.93 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.925 -1.036 . . . . 75.129999999999995 109.994 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 41.86 38.08 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 65.319999999999993 109.302 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.0 p -53.6 -20.11 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 72.430000000000007 109.963 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.99 -25.86 6.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 64.400000000000006 111.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 39.5 m-85 -146.11 164.54 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.140000000000001 111.008 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.525 HG13 ' CE2' ' A' ' 48' ' ' PHE . 57.1 mt -98.6 85.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.219999999999999 109.301 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -57.49 160.45 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 73.129999999999995 110.337 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLY . 14.0 tm-20 -47.17 -49.79 21.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 63.200000000000003 110.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -28.64 61.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 71.510000000000005 110.269 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -83.0 -32.51 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.5 110.346 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.919 HD21 HD12 ' A' ' 98' ' ' ILE . 10.0 mt -55.34 -50.75 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 65.030000000000001 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -58.46 -17.25 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.361 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.55 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -94.75 27.46 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.583 ' CG ' ' CE2' ' A' ' 86' ' ' PHE . 25.2 t80 -74.08 -1.16 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.7 mt -118.02 -7.8 10.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 75.030000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.55 ' CD ' HD22 ' A' ' 66' ' ' LEU . 28.4 mt-30 -88.05 1.56 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.75 ' ND2' ' CD1' ' A' ' 71' ' ' PHE . 3.6 p-10 -85.15 -45.78 11.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 52.3 m-85 -81.72 4.34 22.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 111.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 4.3 tppp? -175.17 151.45 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 72.349999999999994 109.259 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -101.39 22.83 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.07 18.82 1.21 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 74.5 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.5 140.61 29.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 55.420000000000002 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 25' ' ' PHE . 13.8 ptt180 -50.41 -178.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.439999999999998 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.99 122.68 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.257 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.73 134.24 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.129999999999995 109.301 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.5 t -60.62 167.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 109.999 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -19.31 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.312 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.16 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 55.43 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -46.47 -43.63 16.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 64.129999999999995 110.258 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.46 HG23 ' HB3' ' A' ' 64' ' ' LEU . 20.7 m -66.15 -29.66 70.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.392 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ALA . 45.3 mttt -71.2 -41.67 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.89 -48.98 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CE2' ' CG ' ' A' ' 67' ' ' PHE . 8.1 t80 -66.23 -15.67 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 71.549999999999997 111.017 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 64' ' ' LEU . 62.3 tp -84.08 -56.92 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -72.0 -19.92 61.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -62.21 -39.92 94.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.340000000000003 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.39 -55.17 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 53.32 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 4.5 t0 -56.78 100.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 75.120000000000005 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -94.1 5.55 51.37 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.666 1.698 . . . . 71.129999999999995 110.04 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.79 4.98 8.79 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.938 -1.03 . . . . 72.109999999999999 109.979 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.19 69.99 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 31.440000000000001 111.013 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -111.77 6.97 20.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 75.349999999999994 109.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 72.85 2.51 57.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 63.32 111.025 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 58' ' ' PHE . 7.7 mtpt -133.92 157.11 46.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 63.5 109.341 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.919 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -127.91 105.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 61.140000000000001 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.15 -165.54 15.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.986 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.89 -37.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 74.439999999999998 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -23.88 65.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 13.5 mt-10 -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 40.1 t80 -68.98 -30.49 68.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.012 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.63 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.26 -7.54 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.120000000000005 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.09 -55.32 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.483 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.7 ptm -48.45 -22.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 72.25 111.022 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.705 HD11 HG13 ' A' ' 44' ' ' VAL . 4.0 pt -102.17 -40.88 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 29.1 ttpt -64.78 -15.39 61.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.140000000000001 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 110.997 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.301 -0.629 . . . . 73.129999999999995 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -53.72 -19.0 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.400000000000006 111.013 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.73 -20.81 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.340000000000003 109.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.65 -49.7 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 70.129999999999995 109.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.21 -62.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 74.010000000000005 109.299 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 3' ' ' PHE . 4.7 mt -99.64 -176.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 25.4 tptt -90.06 121.29 32.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.140000000000001 109.351 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -46.71 -38.59 10.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.42 81.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 54.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 23.9 mt-10 -65.73 -58.19 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 74.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 m -61.19 -37.63 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 109.296 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.2 m -50.72 -53.79 28.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 62.420000000000002 110.386 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -27.82 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 75.299999999999997 109.304 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -72.65 -29.75 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 65.239999999999995 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 71' ' ' PHE . 9.0 mt -77.58 -46.24 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 73.140000000000001 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -70.76 -32.14 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.68 -12.77 35.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.83 31.03 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 62.149999999999999 108.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -65.25 -16.05 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 61.020000000000003 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.605 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -97.18 170.67 8.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.88 137.64 41.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 51.140000000000001 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.8 -8.88 64.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 42.409999999999997 110.993 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.605 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 44.6 p -102.85 17.67 23.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.329999999999998 110.036 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.5 t80 -92.59 128.74 38.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.409999999999997 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.7 t0 -136.17 95.09 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.501 ' NE2' ' CB ' ' A' ' 89' ' ' ALA . 46.3 p-80 -40.05 -58.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 109.652 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -40.53 -51.48 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 24.6 mmtp -61.98 -60.56 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 70.409999999999997 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -39.22 -63.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 71.209999999999994 111.02 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 45.4 m-85 -58.76 -26.9 64.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 65.140000000000001 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.1 mttt -79.76 -21.4 44.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.150000000000006 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.33 -61.9 1.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 62.32 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -62.62 -19.39 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 63.200000000000003 108.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 97.37 -6.88 63.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.137 . . . . 74.049999999999997 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 7' ' ' LEU . 9.7 mt -40.49 -29.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 53.420000000000002 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 35' ' ' GLY . 2.5 p -66.35 -52.57 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 63.140000000000001 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.8 2.42 88.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 61.399999999999999 111.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -69.01 177.72 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -87.91 137.91 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.25 109.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -56.69 -17.07 7.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 110.394 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -68.97 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.7 pt-20 -54.46 -39.92 67.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 110.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 79.2 t -42.9 -49.74 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.319999999999993 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -55.94 -41.7 75.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 75.25 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.0 mtpt -68.11 -30.63 69.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 63.130000000000003 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.494 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -70.1 -40.44 74.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 48' ' ' PHE . 2.8 t80 -55.79 -22.84 26.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.57 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 73.439999999999998 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.2 mm -51.64 -55.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.299999999999997 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -66.59 -70.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.239999999999995 109.309 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.84 103.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -77.26 -12.98 60.01 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.634 1.683 . . . . 73.219999999999999 110.315 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.498 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 2.5 p30 -119.14 -34.13 3.95 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.891 -1.052 . . . . 74.310000000000002 109.985 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CD ' ' C ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 67.13 56.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 61.32 109.32 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -71.62 -22.9 61.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 110.008 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.25 -26.65 3.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 60.509999999999998 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.78 158.08 44.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 64.319999999999993 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 63' ' ' GLU . 32.6 mt -95.86 82.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 109.276 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 156.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.25 110.298 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -48.89 -25.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 63.43 110.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.52 -39.79 81.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 110.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 59' ' ' ILE . 5.4 mt-10 -73.44 -39.13 65.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 87' ' ' LEU . 12.2 mt -48.96 -46.37 43.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 61.420000000000002 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.9 -27.34 67.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 64.400000000000006 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 11.5 mt -92.89 26.73 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -70.68 -4.9 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.349999999999994 110.964 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.1 mt -103.8 -21.06 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 72.310000000000002 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -79.44 1.69 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 110.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.65 ' HB3' HG23 ' A' ' 51' ' ' ILE . 10.1 p-10 -81.33 -46.41 14.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CB ' HD11 ' A' ' 16' ' ' LEU . 21.7 m-85 -83.0 8.92 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 62.43 110.983 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 10.2 tttm -177.78 143.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 63.539999999999999 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.77 31.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.306 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.94 27.46 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.99 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -83.93 172.24 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 62.329999999999998 109.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.697 ' HG3' HD12 ' A' ' 68' ' ' LEU . 8.3 ptt180 -76.75 -172.81 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 61.140000000000001 110.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.41 122.52 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm? -48.38 166.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -100.53 173.69 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.310000000000002 109.979 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -58.3 -18.28 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.328 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.13 -66.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -46.81 -54.53 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 110.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -56.15 -33.53 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 110.403 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 10.8 mtpt -68.95 -41.22 78.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.25 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.25 -35.25 77.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.317 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 t80 -84.47 -17.99 37.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.999 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 64' ' ' LEU . 58.3 tp -81.54 -49.99 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -21.52 63.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . . . -60.58 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.261 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 -64.43 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 3.8 t0 -45.01 121.49 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 64.510000000000005 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.43 -54.32 3.43 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.629 1.681 . . . . 73.420000000000002 110.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.07 10.76 11.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.903 -1.046 . . . . 63.350000000000001 110.023 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 38.15 69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 33.229999999999997 111.024 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -103.79 15.38 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.530000000000001 109.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.23 13.32 76.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 54.100000000000001 111.048 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -143.93 151.87 40.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.129999999999995 109.264 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 64' ' ' LEU . 3.5 mt -126.07 114.93 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.519999999999996 109.308 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.83 176.07 54.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 111.012 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -70.39 -38.27 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 74.129999999999995 109.306 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -22.5 66.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.74 -29.6 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 72.319999999999993 110.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -80.07 -26.78 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.595 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -85.89 -15.1 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 65.540000000000006 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.52 -51.07 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 62.340000000000003 109.315 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.51 -18.18 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 27.3 pt -101.03 -45.51 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 70.299999999999997 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.41 60.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 63.039999999999999 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 63.039999999999999 111.014 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.319 -0.623 . . . . 52.210000000000001 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.987 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.0 m-85 -58.73 -15.07 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.430000000000007 110.985 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.75 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.325 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -94.12 -43.93 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 63.119999999999997 109.971 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.62 -62.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 70.310000000000002 109.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.27 -176.56 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 123.92 33.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.316 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -62.47 -15.87 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.239999999999995 109.299 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.11 -19.16 32.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 45.240000000000002 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' THR . 46.5 mt-10 -87.79 -65.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.430000000000007 110.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.657 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 m -44.34 -28.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -45.6 -51.03 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 73.510000000000005 110.379 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.86 -31.45 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 64.340000000000003 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.758 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -74.38 -24.18 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.58 -33.69 23.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.77 -17.46 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 72.099999999999994 109.268 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -70.39 -5.04 53.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 71.530000000000001 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 p -137.67 22.26 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 43.340000000000003 108.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -56.97 -20.18 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 63.210000000000001 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 147.88 22.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.5 155.29 31.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.357 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.83 23.14 2.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 111.039 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.2 19.42 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.340000000000003 110.031 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 16.6 t80 -85.27 136.37 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 110.991 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 70.8 m-20 -126.76 111.65 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 63.420000000000002 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 1.8 p80 -66.39 -58.15 5.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.581 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.6 ' HD3' ' HZ2' ' A' ' 29' ' ' LYS . 13.7 ptmt -44.12 -48.75 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 73.129999999999995 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.6 ' HZ2' ' HD3' ' A' ' 28' ' ' LYS . 1.5 mptt -61.47 -51.83 67.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 71.239999999999995 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.758 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 1.6 t80 -44.68 -64.2 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.983 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.7 m-85 -47.84 -28.34 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 111.012 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLY . 4.3 tmtt? -75.16 -61.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 55.030000000000001 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.11 23.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.239999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.657 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 m -87.92 -24.79 23.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 73.340000000000003 108.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . 98.21 -19.28 55.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 63.109999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt -45.56 -56.0 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 73.5 109.249 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t -58.23 102.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 71.019999999999996 110.048 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.67 -26.71 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 51.539999999999999 110.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.52 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 55.530000000000001 109.298 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -89.02 138.18 31.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 45.25 109.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -58.16 -16.02 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.48 -60.69 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 65.430000000000007 109.318 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.8 pt-20 -58.7 -39.31 80.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 110.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.76 HG11 ' CB ' ' A' ' 104' ' ' ALA . 36.6 t -40.33 -48.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.030000000000001 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 43.5 mttt -60.03 -47.3 86.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 72.420000000000002 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.3 mtpt -64.0 -20.61 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.326 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -81.45 -33.92 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 50.439999999999998 109.272 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 59' ' ' ILE . 28.7 t80 -67.59 -20.71 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.040000000000006 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.888 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -85.78 -3.57 58.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 70.329999999999998 109.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.987 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.4 mm -83.37 -54.28 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 53.130000000000003 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.1 mt -65.36 -45.51 93.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 75.409999999999997 109.356 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' CZ ' ' A' ' 48' ' ' PHE . 2.7 m-20 -66.35 103.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.430000000000007 109.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -97.23 -12.84 22.49 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.657 1.694 . . . . 62.299999999999997 110.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.5 p30 -104.61 -10.65 17.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.901 -1.047 . . . . 71.219999999999999 109.992 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.888 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 3.8 mmmt 40.03 52.66 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 71.120000000000005 109.322 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -31.06 51.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 53.310000000000002 110.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.09 -55.65 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 64.019999999999996 110.949 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -126.73 138.84 53.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 73.099999999999994 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 48' ' ' PHE . 86.8 mt -75.74 91.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -60.59 161.39 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 70.219999999999999 110.281 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 64' ' ' LEU . 84.1 tt0 -52.35 -25.99 11.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 110.279 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -73.88 -31.28 63.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 66' ' ' LEU . 45.1 mt-10 -88.58 -12.93 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 72.109999999999999 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 98' ' ' ILE . 8.8 mt -66.46 -48.22 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 53.520000000000003 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -61.74 -14.59 33.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 109.282 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 65' ' ' LYS . 7.6 mt -92.71 27.45 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 87.6 t80 -76.88 1.82 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 72.310000000000002 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 30' ' ' PHE . 33.6 mt -117.98 -7.82 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 80.6 mt-30 -88.96 1.68 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.299999999999997 110.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.751 ' ND2' ' CD1' ' A' ' 71' ' ' PHE . 3.5 p-10 -84.81 -45.63 12.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 73.25 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.751 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 52.3 m-85 -81.57 5.57 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 63.030000000000001 111.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 2.3 ttmt 179.51 158.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.57 25.49 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.92 13.83 2.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 53.140000000000001 111.011 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.49 141.99 28.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 64.010000000000005 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.86 -173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 73.019999999999996 110.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -128.28 126.68 41.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 109.293 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.638 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.8 mm? -46.94 145.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 81' ' ' ALA . 26.8 t -65.78 149.84 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 110.034 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.67 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 75.230000000000004 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -81.68 -56.26 4.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.69 -26.05 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 64' ' ' LEU . 8.0 m -87.22 -28.97 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.230000000000004 110.41 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' ALA . 25.1 mttp -57.95 -49.32 77.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.120000000000005 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.905 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.13 -16.3 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 70.450000000000003 109.29 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -84.95 -19.98 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 53.509999999999998 111.005 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 98' ' ' ILE . 57.4 tp -83.75 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 62.219999999999999 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -57.68 -18.94 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.905 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.94 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -87.11 -49.0 4.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 71.219999999999999 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' LEU . 24.8 t0 -60.21 84.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -72.62 -54.65 8.51 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.657 1.694 . . . . 42.539999999999999 110.026 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 6.9 p30 -60.47 -21.24 62.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.923 -1.037 . . . . 50.420000000000002 109.996 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 48.12 70.25 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 60.130000000000003 110.99 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.3 -17.74 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 73.329999999999998 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.441 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 121.73 5.36 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 111.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 5.8 mtmm -150.82 -179.47 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 62.520000000000003 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 64' ' ' LEU . 2.2 mt -135.3 107.07 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.150000000000006 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.22 -162.42 35.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.569 1.168 . . . . 41.329999999999998 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.488 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.44 -51.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 73.200000000000003 109.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.1 -27.88 15.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.305 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 32.0 mt-10 -88.31 -45.28 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 110.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' MET . 46.5 t80 -59.22 -29.64 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 110.958 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.76 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.63 -7.19 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.310000000000002 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -82.17 -54.63 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.467 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 3.6 ptm -52.08 -22.96 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 52.310000000000002 111.044 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 104' ' ' ALA . 20.2 pt -96.55 -43.65 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.51 -18.0 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 70.109999999999999 111.013 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 62.229999999999997 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.125 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.5 m-85 -52.84 -19.61 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 110.957 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.571 ' HB1' ' OD2' ' A' ' 9' ' ' ASP . . . -53.16 -21.26 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.109999999999999 109.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -98.62 -45.22 6.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 71.530000000000001 109.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.66 -62.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.261 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 34' ' ' CYS . 2.4 mt -105.87 -177.23 3.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -85.92 128.92 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 74.420000000000002 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.571 ' OD2' ' HB1' ' A' ' 4' ' ' ALA . 2.0 m-20 -55.14 -33.01 62.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 62.229999999999997 109.343 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.05 -23.55 55.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.1 mt-10 -79.04 -51.17 9.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 70.329999999999998 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.649 HG12 ' SG ' ' A' ' 34' ' ' CYS . 12.2 m -68.31 -33.09 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 70.329999999999998 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -54.58 -50.6 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.38 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -19.63 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.030000000000001 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -86.72 -28.91 22.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 71' ' ' PHE . 8.7 mt -75.06 -34.05 61.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 61.329999999999998 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.35 -20.19 32.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 109.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -8.2 48.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.011 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 3.9 m -136.56 27.91 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.281 -1.007 . . . . 72.349999999999994 108.281 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -55.75 -45.21 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 74.109999999999999 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.02 -174.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 65.430000000000007 109.272 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.93 133.48 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 63.240000000000002 109.254 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.13 -14.67 52.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 64.540000000000006 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -6.93 57.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 55.350000000000001 110.039 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.2 t80 -52.37 125.05 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 65.319999999999993 111.001 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -129.71 82.15 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.439999999999998 109.338 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 86' ' ' PHE . 11.0 p-80 -40.04 -62.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.540000000000006 109.563 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 10.7 pttp -40.79 -52.54 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 28.4 mmtp -56.16 -45.34 79.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 t80 -53.23 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 74.200000000000003 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 85.1 m-85 -58.53 -29.03 66.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 71.5 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.12 -19.22 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 72.030000000000001 109.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.13 -57.8 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 7' ' ' LEU . 7.8 t -65.32 -26.9 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 108.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 103.99 -5.57 46.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 71.239999999999995 111.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 6.8 mt -45.57 -28.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 70.329999999999998 109.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 p -66.0 -43.44 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 71.200000000000003 109.984 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -93.38 6.58 75.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 54.049999999999997 110.981 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 19.4 mmtt -73.38 -178.82 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 72.430000000000007 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 67.1 m -97.52 137.86 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.109999999999999 109.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.032 HG22 ' NZ ' ' A' ' 45' ' ' LYS . 18.4 m -53.57 -19.52 3.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 52.119999999999997 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -63.27 -60.07 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 70.409999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 47' ' ' ALA . 5.9 pt-20 -61.99 -38.28 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 43.140000000000001 110.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.691 HG11 ' CB ' ' A' ' 104' ' ' ALA . 70.9 t -42.66 -48.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 1.032 ' NZ ' HG22 ' A' ' 41' ' ' THR . 22.5 mttp -58.03 -46.38 85.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -67.82 -20.72 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.25 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.95 -33.02 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 53.030000000000001 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CE1' HG13 ' A' ' 59' ' ' ILE . 39.5 t80 -62.79 -21.87 66.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 74.310000000000002 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -18.16 35.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 71.400000000000006 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.125 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.3 mm -64.92 -48.83 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -76.6 -66.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 71.340000000000003 109.268 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -40.01 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 63.340000000000003 109.271 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.4 mt-30 -94.26 -50.9 5.05 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.62 1.676 . . . . 74.129999999999995 110.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 13.2 p30 -62.47 -28.47 69.85 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.888 -1.054 . . . . 75.030000000000001 109.994 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 10.3 mmmm 69.28 23.92 6.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.304 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.41 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 64.049999999999997 109.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.24 -23.55 35.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 111.012 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.61 120.77 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 63.409999999999997 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.954 HG23 ' HB3' ' A' ' 63' ' ' GLU . 64.4 mt -70.34 92.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 65.329999999999998 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' GLU . 11.2 mt-10 -65.01 160.58 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 63.32 110.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HG3' HD22 ' A' ' 87' ' ' LEU . 17.3 tt0 -45.09 -33.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.8 -39.1 84.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 110.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.954 ' HB3' HG23 ' A' ' 59' ' ' ILE . 9.6 mt-10 -68.2 -40.11 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 64.109999999999999 110.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 87' ' ' LEU . 35.2 mt -54.58 -48.28 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 63.340000000000003 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 83' ' ' THR . 13.6 ttmt -60.67 -16.04 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.239999999999995 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.8 27.17 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 70.120000000000005 109.27 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 33.5 t80 -71.33 -4.13 24.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 62.25 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -103.95 -21.96 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 55.0 mt-30 -78.61 2.01 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 51.409999999999997 110.292 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.615 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.4 p-10 -81.3 -48.16 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 30' ' ' PHE . 22.3 m-85 -80.71 6.53 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.450000000000003 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 18.9 tptt -175.36 143.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 62.43 109.3 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.9 23.03 3.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.73 19.42 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 63.25 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.82 167.45 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 50.340000000000003 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.7 ptt180 -79.84 -170.65 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 64.25 110.317 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 65' ' ' LYS . . . -126.09 133.85 51.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 25' ' ' PHE . 2.1 mm? -55.97 163.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.229999999999997 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 33.2 t -76.91 158.74 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -53.5 -23.22 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.27 -56.79 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.039999999999999 109.33 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 5.7 mt-10 -43.76 -48.3 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.519999999999996 110.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 59.7 m -61.03 -33.6 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 74.420000000000002 110.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.842 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.65 -41.84 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 62.530000000000001 109.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.15 -32.44 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 62.549999999999997 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.652 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 5.6 t80 -89.15 -13.6 38.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.340000000000003 111.058 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.842 HD23 ' CE ' ' A' ' 84' ' ' LYS . 25.8 tp -84.21 -45.1 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 71.200000000000003 109.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.85 -33.76 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 54.100000000000001 109.246 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.6 -47.7 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 63.140000000000001 109.316 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.92 -55.82 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.089 . . . . 64.329999999999998 110.998 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.56 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.1 t0 -70.94 113.81 8.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 61.310000000000002 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -100.63 -31.88 11.02 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.010000000000005 109.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 13.3 p-10 -75.16 -12.59 60.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.891 -1.052 . . . . 62.340000000000003 109.976 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 49.36 58.9 7.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 110.994 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -98.78 -23.11 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 53.329999999999998 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.58 -5.97 18.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 54.32 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -134.41 165.03 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 65.109999999999999 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.56 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.3 mt -128.98 108.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.69 -168.91 16.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 62.140000000000001 110.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.56 -51.95 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 72.430000000000007 109.339 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -50.43 -28.39 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.318 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.1 mt-10 -87.16 -44.33 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 28.2 t80 -58.84 -31.51 68.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.691 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.7 -5.64 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 55.020000000000003 109.253 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.67 -54.37 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 32.100000000000001 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.556 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.29 -21.96 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 51.119999999999997 111.032 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 104' ' ' ALA . 17.5 pt -96.96 -43.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.329999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -63.33 -20.62 65.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 32.509999999999998 110.979 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.989 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.312 -0.625 . . . . 71.150000000000006 109.312 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.118 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 m-85 -59.27 -14.84 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 111.024 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.56 -22.37 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 35.509999999999998 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 m -101.18 -39.06 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG12 ' HG ' ' A' ' 7' ' ' LEU . 97.5 t -63.72 -62.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 53.340000000000003 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 34' ' ' CYS . 7.7 mt -110.39 178.22 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.253 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 tppp? -79.87 119.27 22.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -49.51 -29.04 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.200000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.28 55.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 74.010000000000005 109.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mm-40 -70.58 -60.59 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 74.400000000000006 110.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m -53.8 -39.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.4 -52.44 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.520000000000003 110.407 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -25.17 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 73.400000000000006 109.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -76.43 -22.08 55.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 53.109999999999999 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.574 HD23 HD22 ' A' ' 68' ' ' LEU . 9.1 mt -85.16 -42.0 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.262 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.92 -15.72 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 63.420000000000002 109.285 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.8 -23.81 63.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' ' CD1' ' A' ' 25' ' ' PHE . 8.9 t -107.98 -21.48 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.237 -1.023 . . . . 65.200000000000003 108.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -40.39 -29.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 54.109999999999999 109.263 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -69.65 95.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.71 139.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 51.140000000000001 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.28 20.71 58.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 34.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.649 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.2 t -130.22 13.07 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 65.409999999999997 109.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 4.5 t80 -63.17 114.15 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.7 m-20 -113.59 74.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.322 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG3' ' A' ' 28' ' ' LYS . 18.8 p80 -40.12 -50.92 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 65.349999999999994 109.627 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mttm -51.45 -48.68 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 4.6 mmpt? -60.17 -58.44 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 71' ' ' PHE . 1.1 t80 -38.35 -63.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 110.976 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 107' ' ' ILE . 12.9 m-85 -54.5 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 71.439999999999998 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -71.11 -21.91 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 61.340000000000003 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.56 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.949 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.1 p -66.5 -20.39 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 108.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.58 -14.7 59.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 111.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 ' SG ' ' A' ' 34' ' ' CYS . 7.7 mt -40.35 -30.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 75.019999999999996 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 35' ' ' GLY . 7.7 t -68.53 94.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 109.99 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.7 31.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 18.4 mmtt -55.19 -178.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 70.439999999999998 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.848 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -78.17 141.23 38.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.982 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -61.04 -19.46 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 110.383 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -73.32 -60.66 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.030000000000001 109.289 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.6 pt-20 -59.33 -43.76 92.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 53.409999999999997 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 40' ' ' SER . 71.1 t -44.47 -40.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 20.9 mttm -68.73 -41.38 79.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 73.530000000000001 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.8 mmmt -66.19 -21.38 66.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.1 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 63.210000000000001 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 5.6 t80 -66.19 -20.76 66.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 72.239999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.09 -6.89 58.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 72.109999999999999 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.118 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.5 mm -74.04 -52.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 55.420000000000002 109.262 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.6 -52.61 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 74.319999999999993 109.325 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -40.0 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 62.25 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.2 mt-30 -94.02 -25.92 17.01 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.64 1.686 . . . . 71.409999999999997 110.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 3.0 p30 -112.08 -9.39 13.97 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.889 -1.053 . . . . 75.349999999999994 109.996 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 54.8 54.94 8.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.309 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -78.23 -5.58 52.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.109999999999999 110.004 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 97.2 -18.94 56.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 61.020000000000003 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 9.0 m-85 -142.97 -175.87 4.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 71.040000000000006 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 59' ' ' ILE . 76.6 mt -129.31 76.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.019999999999996 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.5 mp0 -54.57 156.54 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 64.129999999999995 110.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 64' ' ' LEU . 21.6 tt0 -46.6 -34.9 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 1.2 mp0 -63.17 -37.89 89.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLU . 21.7 mt-10 -83.37 -26.47 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.140000000000001 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 98' ' ' ILE . 11.6 mt -52.71 -51.77 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.873 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 6.3 ptpp? -57.03 -18.31 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 62.229999999999997 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.431 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.2 mt -92.58 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 72.109999999999999 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 76.6 t80 -80.57 6.57 12.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 75.25 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.5 mt -118.06 -7.92 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 62.25 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 21.6 mt-30 -92.13 1.25 57.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.010000000000005 110.262 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.741 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.4 p-10 -83.63 -45.33 13.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.229999999999997 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.9 m-85 -82.67 5.56 20.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.519999999999996 111.031 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' GLN . 16.2 tptp -175.12 148.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.48 65.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 61.420000000000002 109.264 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 175.73 -33.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 63.130000000000003 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.47 135.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 64.230000000000004 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptt85 -56.93 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.873 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -120.47 137.15 54.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 73.209999999999994 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.611 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.8 mm? -45.1 148.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 54.439999999999998 109.277 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.439 ' CB ' ' OE2' ' A' ' 82' ' ' GLU . 35.3 t -61.97 -173.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 75.450000000000003 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.42 ' N ' ' OG ' ' A' ' 79' ' ' SER . 7.7 p-10 -73.0 -28.68 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 65.010000000000005 109.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 109.28 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 29.8 mt-10 -50.91 -51.42 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.349999999999994 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -59.8 -27.5 66.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 60.200000000000003 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -73.85 -41.95 61.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 72.439999999999998 109.344 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.37 -43.9 96.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.622 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -74.03 -13.63 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.7 tp -83.2 -64.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 72.010000000000005 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -56.49 -39.79 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -45.36 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 35.43 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -76.36 -63.15 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 4.4 t0 -49.31 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 61.229999999999997 109.269 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -89.83 2.73 54.6 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.63 1.681 . . . . 54.310000000000002 109.994 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -123.67 -1.06 8.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.884 -1.055 . . . . 61.140000000000001 109.991 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.37 70.09 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 53.240000000000002 110.973 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.83 -22.99 13.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 63.539999999999999 109.251 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 116.03 8.55 13.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 21.1 mtmt -150.51 171.48 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 70.010000000000005 109.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.815 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -133.41 104.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.81 -165.36 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.11 -38.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 73.040000000000006 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -18.71 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 91' ' ' ASP . 30.1 mt-10 -99.13 -41.6 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 51.9 t80 -72.08 -27.63 62.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.409999999999997 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.85 -11.03 48.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.4 -54.02 6.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 50.409999999999997 109.309 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.581 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -50.67 -19.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 42.530000000000001 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.696 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.3 pt -106.48 -36.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 62.310000000000002 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 44.3 tttt -71.28 -13.41 61.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.519 1.137 . . . . 60.039999999999999 110.98 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.974 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.316 -0.624 . . . . 63.240000000000002 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.072 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.6 m-85 -53.2 -19.67 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -95.76 -41.49 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.63 -62.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 60.210000000000001 109.305 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.816 HD13 ' HB2' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -108.82 -178.85 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 72.150000000000006 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -89.57 127.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.420000000000002 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -52.26 -26.23 11.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.61 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.319999999999993 109.332 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LYS . 34.9 mt-10 -71.99 -56.91 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -59.76 -36.14 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 71.219999999999999 109.276 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -53.56 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 110.41 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 31.43 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.4 -19.3 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 63.229999999999997 109.348 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -86.63 -24.86 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 72.219999999999999 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -90.68 -19.4 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.33 -12.79 81.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 51.439999999999998 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -135.45 29.09 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.331 -0.989 . . . . 54.509999999999998 108.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -64.59 -46.44 82.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 63.210000000000001 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 152.4 44.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 63.439999999999998 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.22 151.98 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.129999999999995 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.39 50.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 65.109999999999999 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 p -133.06 17.02 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 0.8 . . . . 62.509999999999998 109.968 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 9.1 t80 -92.54 142.95 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -135.49 89.44 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.276 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 24.6 p80 -39.8 -57.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.631 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 7.5 pttt -44.77 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.109999999999999 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -47.0 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 53.25 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 15' ' ' ALA . 9.6 t80 -38.36 -63.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 72.329999999999998 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 57.4 m-85 -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' LYS . 8.3 ttpt -73.52 -27.01 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -70.39 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.816 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -64.43 -19.51 65.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 60.409999999999997 108.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 96.23 -7.96 66.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 111.011 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' ' 34' ' ' CYS . 6.3 mt -40.05 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 73.299999999999997 109.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' GLY . 59.1 m -69.29 -52.9 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -81.58 -0.03 88.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.1 mmtt -72.54 178.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 72.040000000000006 109.31 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 44' ' ' VAL . 28.7 m -90.27 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 61.140000000000001 109.994 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -54.89 -18.51 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 40.109999999999999 110.381 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -67.06 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.209999999999994 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -57.27 -38.81 74.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 71.430000000000007 110.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 107' ' ' ILE . 52.0 t -40.9 -45.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 43.1 mttt -59.96 -47.58 85.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' GLU . 3.9 mtmt -67.66 -20.42 65.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.18 -39.35 33.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 53.030000000000001 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.7 t80 -66.78 -25.56 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.319999999999993 111.06 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.75 -4.68 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 53.130000000000003 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 ' CD2' ' A' ' 3' ' ' PHE . 9.9 mm -79.1 -47.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 70.140000000000001 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -71.14 -51.29 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.299999999999997 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.37 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.332 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -86.98 -59.32 2.29 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.642 1.686 . . . . 75.420000000000002 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.481 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -74.49 1.94 10.73 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.923 -1.036 . . . . 55.020000000000003 110.023 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp 51.23 57.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.420000000000002 109.258 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -91.17 -9.01 46.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 110.015 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.13 -9.3 64.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 62.310000000000002 111.047 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.73 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 72.239999999999995 110.964 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.451 HG13 ' CE2' ' A' ' 48' ' ' PHE . 65.8 mt -130.37 92.74 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.284 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.24 168.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.420000000000002 110.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 64' ' ' LEU . 10.6 tm-20 -58.03 -40.53 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.51 -37.27 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 53.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 54' ' ' ASP . 33.1 mt-10 -74.54 -28.44 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.239999999999995 110.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.804 HD21 HD12 ' A' ' 98' ' ' ILE . 10.5 mt -54.09 -49.09 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 109.247 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 5.8 ptmt -57.64 -17.79 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 ' NE2' ' A' ' 69' ' ' GLN . 48.8 mt -92.57 27.94 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 50.3 t80 -73.0 -1.13 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.7 mt -115.96 -8.46 11.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 72.140000000000001 109.249 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.646 ' NE2' HD22 ' A' ' 66' ' ' LEU . 44.5 mt-30 -84.95 -1.52 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.617 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 10.6 p30 -85.48 -41.99 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 73.439999999999998 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.753 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 83.1 m-85 -84.55 6.24 24.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.519999999999996 110.989 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -175.16 150.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.150000000000006 109.282 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.81 25.88 6.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 51.420000000000002 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.0 25.89 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 43.32 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.77 -174.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 72.109999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.28 160.78 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 63.299999999999997 110.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -105.3 144.91 31.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 51.299999999999997 109.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 2.2 mm? -73.64 148.21 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 74.319999999999993 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t -64.13 178.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 72.299999999999997 110.023 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 21.5 m-20 -69.73 -35.14 74.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.8 60.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 75.140000000000001 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.57 -48.28 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.8 m -69.63 -18.55 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 61.310000000000002 110.414 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -67.71 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 73.239999999999995 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.82 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.96 -22.2 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 63.229999999999997 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.67 -18.26 60.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 111.024 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 38.5 tp -80.8 -64.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 109.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -63.99 -18.87 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 71.299999999999997 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.45 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 64.540000000000006 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -100.75 -41.22 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 41.32 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 20.6 t0 -62.72 80.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -67.82 -54.62 17.64 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.593 1.663 . . . . 73.430000000000007 109.996 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -67.18 -13.9 62.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.934 -1.031 . . . . 72.219999999999999 109.985 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.49 70.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.09 . . . . 65.400000000000006 111.014 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -13.4 23.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.010000000000005 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' LYS . . . 119.91 7.94 9.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 53.299999999999997 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 51.9 mtmt -152.91 178.66 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 70.140000000000001 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.804 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -136.26 105.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.27 -162.46 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 111.049 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.505 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.24 -49.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 50.109999999999999 109.29 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -54.15 -28.28 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.318 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 37.2 mt-10 -88.86 -45.96 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.200000000000003 110.232 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 43.6 t80 -59.41 -29.14 67.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -6.94 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.349999999999994 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -81.74 -54.85 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 70.430000000000007 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 4.0 ptm -51.36 -26.27 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.409999999999997 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 44' ' ' VAL . 18.5 pt -92.98 -43.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 65.099999999999994 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.24 -16.14 63.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 62.219999999999999 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 75.5 111.023 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.999 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.278 -0.638 . . . . 44.229999999999997 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 1.091 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.69 -5.59 30.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.952 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.07 -18.01 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -96.48 -47.64 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.959 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.88 -62.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.532 ' CD2' ' CE ' ' A' ' 39' ' ' LYS . 6.2 mt -112.79 171.03 7.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 65.420000000000002 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.6 ttpt -86.98 121.15 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 71.219999999999999 109.336 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 12' ' ' VAL . 22.2 t0 -48.34 -41.42 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 71.340000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.29 73.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 53.530000000000001 109.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 27.8 mm-40 -75.67 -63.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 110.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 26.9 m -54.0 -29.46 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 54.229999999999997 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -49.07 37.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 61.219999999999999 110.421 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.91 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . . . -80.7 -33.16 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 52.109999999999999 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.78 -33.84 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.25 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.29 -18.9 54.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 64.120000000000005 109.308 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.91 -8.5 73.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 72.340000000000003 110.982 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.17 26.07 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.326 -0.99 . . . . 64.420000000000002 108.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 -16.88 53.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.872 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -98.44 102.18 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 53.030000000000001 109.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.82 133.93 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.150000000000006 109.264 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.72 16.89 74.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.872 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 1.5 p -126.68 12.25 7.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 64.200000000000003 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.6 t80 -75.56 136.53 40.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 73.400000000000006 111.019 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 4.2 m-20 -138.87 93.16 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.355 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.633 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 26.5 p80 -39.89 -59.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.299999999999997 109.624 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 26.6 mtmt -43.58 -47.15 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 64.030000000000001 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 6.1 mptt -63.25 -39.49 94.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 3.2 t80 -61.31 -63.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 75.310000000000002 111.01 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.9 m-85 -52.33 -23.11 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 111.026 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -77.36 -51.2 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 55.43 109.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . . . -65.99 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 82.2 m -90.66 -26.17 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 72.540000000000006 108.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.73 -14.37 64.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 44.329999999999998 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 7' ' ' LEU . 12.4 mt -42.52 -28.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.308 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLY . 42.1 t -65.29 -49.21 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 74.150000000000006 110.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -90.07 6.65 82.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 29.3 mmtt -71.23 -179.64 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 73.230000000000004 109.289 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.989 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -87.89 153.35 21.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 61.340000000000003 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.498 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 1.3 m -68.88 -26.55 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.319999999999993 110.409 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.62 -63.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' OE2' ' CG ' ' A' ' 39' ' ' LYS . 6.6 pt-20 -51.72 -36.93 48.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 75.310000000000002 110.307 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 40' ' ' SER . 25.4 t -45.67 -47.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 50.439999999999998 109.335 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.258 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HZ2' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -76.14 -20.93 57.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 44.009999999999998 109.326 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -83.04 -37.26 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 52.509999999999998 109.344 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 10.1 t80 -62.42 -20.94 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 70.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.36 -8.64 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -72.52 -48.93 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 70.109999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.86 -58.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.334 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.579 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 71.6 m-20 -40.17 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 52.030000000000001 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.39 -17.06 33.17 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.629 1.68 . . . . 64.040000000000006 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.4 p-10 -119.96 -14.13 8.95 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.889 -1.053 . . . . 54.509999999999998 109.995 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 20.7 mmtp 61.92 36.96 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 109.304 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.418 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.1 p -56.92 -17.67 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.17 -31.94 6.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.972 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.0 -170.86 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 64.129999999999995 111.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 59' ' ' ILE . 82.3 mt -127.24 77.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 72.530000000000001 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -52.52 165.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 71.239999999999995 110.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -51.93 -41.48 62.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.85 -24.47 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -88.1 -34.25 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 63.229999999999997 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.709 ' CD1' HD13 ' A' ' 87' ' ' LEU . 12.3 mt -52.17 -54.52 29.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 63.340000000000003 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 9.6 ptmm? -53.26 -21.09 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 70.540000000000006 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.475 HD22 ' CD ' ' A' ' 69' ' ' GLN . 39.9 mt -92.76 26.69 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.283 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.726 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 15.3 t80 -77.56 2.35 16.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 70.219999999999999 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 17.2 mt -118.13 -7.75 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.129999999999995 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.475 ' CD ' HD22 ' A' ' 66' ' ' LEU . 42.0 mt-30 -89.4 1.48 55.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.295 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.743 ' ND2' ' CD1' ' A' ' 71' ' ' PHE . 3.5 p-10 -86.13 -45.33 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 72.519999999999996 109.341 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.743 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 51.0 m-85 -83.27 9.49 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 73.129999999999995 111.02 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -179.06 154.85 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 109.3 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.17 27.28 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 65.140000000000001 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.81 20.79 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 51.43 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -92.45 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 73.510000000000005 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -57.97 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -123.25 137.55 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 68' ' ' LEU . 2.5 mm? -53.07 140.49 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.200000000000003 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 82' ' ' GLU . 32.0 t -61.13 164.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 53.539999999999999 109.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -26.25 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 64.109999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -54.5 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . 18.1 mt-10 -44.99 -43.16 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 64.510000000000005 110.342 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 64' ' ' LEU . 21.3 m -67.0 -32.53 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 74.030000000000001 110.367 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.9 mtmt -66.37 -40.84 89.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 73.340000000000003 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.95 -48.38 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.209999999999994 109.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.726 ' CE1' ' CG ' ' A' ' 67' ' ' PHE . 10.2 t80 -70.81 -13.72 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 64' ' ' LEU . 38.4 tp -83.94 -56.58 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 63.420000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -25.3 64.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.32 109.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.633 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.72 -60.16 1.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 60.32 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.8 t0 -61.44 120.69 10.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 63.140000000000001 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 t -100.44 -14.86 18.13 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.652 1.691 . . . . 63.130000000000003 110.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 12.5 p-10 -98.62 -13.8 20.18 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 114.935 -1.029 . . . . 65.400000000000006 109.996 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 50.15 67.96 1.62 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 73.299999999999997 111.011 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -110.16 -23.01 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 71.109999999999999 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.39 -2.1 18.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 70.329999999999998 111.012 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -131.62 146.65 52.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 64.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -118.96 108.03 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 62.100000000000001 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.36 -163.94 16.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.457 1.098 . . . . 63.399999999999999 110.98 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -83.93 -37.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 62.109999999999999 109.269 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -16.07 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 52.109999999999999 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -102.51 -36.98 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.409999999999997 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 107' ' ' ILE . 57.3 t80 -78.03 -24.89 47.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.615 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -88.96 -13.31 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 61.049999999999997 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.77 -50.41 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 61.149999999999999 109.336 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.591 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.1 ptm -54.97 -15.47 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 72.25 111.041 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.771 HG23 ' CD1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -109.03 -32.91 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -54.39 -41.36 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 74.299999999999997 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 64.109999999999999 110.989 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.664 ' H1 ' ' N ' ' A' ' 73' ' ' ALA . 69.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.977 -0.379 . . . . 72.420000000000002 109.977 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 mtm -68.69 77.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 64.430000000000007 111.039 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.964 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.19 -56.33 3.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 74.019999999999996 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.03 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.2 m-85 -52.1 -21.11 2.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 73.310000000000002 111.013 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.09 -23.55 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.291 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -82.77 -51.21 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 74.549999999999997 109.959 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.11 -62.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.016 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -104.54 -176.52 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 61.130000000000003 109.31 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -83.72 121.83 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -53.2 -31.56 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.209999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.24 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 74.140000000000001 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.18 -58.47 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 110.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.85 -30.48 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 54.520000000000003 109.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -50.66 -55.17 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 71.120000000000005 110.362 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.02 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.294 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.89 -18.32 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.809 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.8 mt -90.25 -29.43 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 109.279 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -84.27 -17.09 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 72.030000000000001 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -14.87 81.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 111.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' C ' ' N ' ' A' ' 21' ' ' ALA . 9.3 p -108.45 -20.17 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.255 -1.017 . . . . 55.399999999999999 108.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -40.35 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 70.310000000000002 109.265 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -73.49 117.16 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 64.120000000000005 109.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' SER . . . -50.64 149.37 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 109.288 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 39.47 29.55 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.733 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.5 t -125.6 2.78 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.966 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 23.5 t80 -65.67 125.35 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.549999999999997 111.037 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 1.3 m-20 -123.52 82.35 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 70.310000000000002 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 26.1 p-80 -40.22 -56.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.439999999999998 109.572 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 50.2 mttt -43.2 -51.09 6.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HZ2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -62.49 -38.04 88.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 109.295 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 1.6 t80 -59.62 -63.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 63.310000000000002 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CG2' ' A' ' 107' ' ' ILE . 12.0 m-85 -56.99 -36.91 70.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.099999999999994 110.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -73.16 -25.12 60.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.245 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -72.13 -61.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 51.530000000000001 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.016 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.7 p -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 108.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.11 -9.74 59.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.975 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' PHE . 10.8 mt -40.38 -38.31 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 70.010000000000005 109.311 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -71.57 117.77 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.81 -22.08 41.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.27 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 74.340000000000003 109.299 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 m -82.91 140.66 32.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 44.240000000000002 109.968 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -66.21 -9.68 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -78.98 -55.12 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 63.329999999999998 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.5 pt-20 -58.33 -40.66 82.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -46.59 -50.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 63.130000000000003 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 45.6 mttm -54.24 -32.19 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mmmt -80.1 -24.16 40.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -82.29 -21.56 36.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 109.283 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 59' ' ' ILE . 30.4 t80 -72.58 -20.77 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 110.96 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.12 -44.59 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 32.340000000000003 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.03 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.9 mm -41.31 -47.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 mt -70.88 -61.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.25 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -40.38 103.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 52.420000000000002 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 26.6 mt-30 -95.2 -23.49 17.24 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.639 1.685 . . . . 74.519999999999996 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.1 p-10 -113.15 3.97 16.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.857 -1.068 . . . . 73.430000000000007 109.962 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 41.09 49.48 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 109.314 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -74.0 -4.62 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 73.439999999999998 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 96.16 -28.31 13.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 74.310000000000002 111.055 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.415 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 12.9 m-85 -136.89 177.98 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 75.239999999999995 110.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 59' ' ' ILE . 36.5 mt -118.83 76.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.240000000000002 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -47.5 163.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 74.099999999999994 110.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 64' ' ' LEU . 34.5 tt0 -55.22 -24.67 28.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 73.430000000000007 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.95 -25.6 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -86.0 -26.4 25.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 52.219999999999999 110.259 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 87' ' ' LEU . 11.4 mt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 72.5 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 8.4 ptpp? -60.4 -15.87 30.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 53.100000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 mt -92.82 27.36 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.150000000000006 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 53.7 t80 -81.42 7.4 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 110.991 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.9 mt -118.53 -7.64 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 38.0 mt-30 -91.86 1.67 57.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 72.430000000000007 110.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.74 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.7 p-10 -83.53 -45.49 13.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 61.399999999999999 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.809 ' CB ' HD11 ' A' ' 16' ' ' LEU . 71.9 m-85 -82.84 6.13 19.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.109999999999999 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -177.28 151.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.664 ' N ' ' H1 ' ' A' ' 0' ' ' SER . . . -103.09 64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 64.150000000000006 109.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 177.51 -34.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 52.329999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.61 139.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 53.329999999999998 109.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -56.74 -170.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 73.409999999999997 110.29 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -127.13 133.37 50.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 62.100000000000001 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 25' ' ' PHE . 1.8 mm? -40.28 147.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 53.530000000000001 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -60.15 -176.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 53.409999999999997 109.962 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.98 -29.67 66.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 63.240000000000002 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -86.95 -50.55 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 63.530000000000001 109.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -46.3 -45.35 17.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 62.310000000000002 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.2 m -68.3 -27.79 66.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 70.319999999999993 110.432 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ALA . 18.4 mttm -71.34 -45.83 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.39 -48.8 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 72.010000000000005 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 27' ' ' HIS . 7.0 t80 -64.93 -13.6 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 64.430000000000007 110.959 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.831 HD13 ' CD1' ' A' ' 64' ' ' LEU . 49.7 tp -84.15 -64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 74.409999999999997 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -23.27 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -68.97 -28.69 66.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 62.030000000000001 109.308 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.81 -69.87 0.6 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 42.329999999999998 111.02 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.57 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.6 t0 -48.65 119.59 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 71.129999999999995 109.271 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -100.6 4.16 43.15 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 123.637 1.684 . . . . 70.129999999999995 110.032 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.4 p-10 -123.85 -9.6 7.77 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.948 -1.025 . . . . 62.509999999999998 109.994 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.05 63.28 2.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 74.019999999999996 110.966 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -103.06 -22.94 13.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 64.430000000000007 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.96 5.74 11.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -143.86 154.89 43.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 73.310000000000002 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -126.97 104.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 109.326 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.54 -170.05 8.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 61.439999999999998 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -76.4 -52.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 63.020000000000003 109.271 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.75 -29.21 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 73.120000000000005 109.312 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.36 -36.28 19.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.424 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.3 t80 -66.12 -31.92 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 75.420000000000002 111.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.4 -3.78 59.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.430000000000007 109.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 -53.98 4.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 64.109999999999999 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.555 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.0 ptm -53.23 -19.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 45.020000000000003 110.947 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.788 HD11 HG11 ' A' ' 44' ' ' VAL . 17.8 pt -100.41 -44.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -61.41 -22.7 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 65.230000000000004 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.984 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.015 -0.365 . . . . 73.409999999999997 110.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 41.9 ttm -96.17 132.05 42.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 111.065 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . -84.49 -53.55 5.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 63.340000000000003 109.285 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.846 ' CD2' HD12 ' A' ' 7' ' ' LEU . 8.1 m-85 -53.08 -19.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 70.540000000000006 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 1' ' ' MET . . . -42.77 -28.24 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 t -102.38 -44.17 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 71.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.59 -63.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' CD2' ' A' ' 3' ' ' PHE . 32.4 mt -107.16 -176.26 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 71.019999999999996 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -89.2 111.94 22.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 64.109999999999999 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 8.5 p-10 -57.75 -17.68 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 70.439999999999998 109.323 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -85.96 -29.2 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.271 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.6 mm-40 -86.8 -60.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.219999999999999 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 8' ' ' LYS . 4.5 m -39.06 -51.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -48.39 -51.21 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 110.406 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -59.53 -34.03 72.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.329999999999998 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -73.85 -24.68 59.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.796 HD11 ' CB ' ' A' ' 71' ' ' PHE . 7.6 mt -74.55 -43.28 56.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.94 -17.0 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 53.520000000000003 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.94 -4.03 61.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.448 1.092 . . . . 52.43 110.996 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -138.82 25.15 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 71.310000000000002 108.301 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.26 -46.88 88.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.286 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.99 120.56 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.010000000000005 109.333 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 140.68 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 109.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.64 -24.56 16.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 63.009999999999998 111.002 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 p -98.14 14.83 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 63.329999999999998 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CD2' HD11 ' A' ' 78' ' ' LEU . 2.2 t80 -89.99 146.65 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 111.031 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.9 m-20 -144.43 128.78 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.340000000000003 109.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 15.7 p80 -69.41 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 55.299999999999997 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mtmm -47.55 -39.23 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.030000000000001 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.5 mmtt -66.35 -55.02 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 55.109999999999999 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 4.9 t80 -43.47 -63.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 111.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.8 m-85 -52.12 -26.66 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 64.439999999999998 111.012 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -86.33 -24.16 25.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.61 -28.07 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 2.7 m -94.17 -27.13 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 75.150000000000006 108.328 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 106.69 -13.46 42.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 62.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' HD11 ' A' ' 7' ' ' LEU . 7.5 mt -41.44 -29.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.1 t -65.54 -51.42 59.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 110.03 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.35 5.0 82.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 44.020000000000003 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 7' ' ' LEU . 20.0 mmtt -76.84 -175.36 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 64.120000000000005 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.608 ' O ' HG23 ' A' ' 44' ' ' VAL . 74.2 m -99.53 147.33 25.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 110.012 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -12.74 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.396 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.275 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 pt-20 -54.27 -38.14 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 74.310000000000002 110.307 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 107' ' ' ILE . 79.7 t -47.55 -45.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 64.319999999999993 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HG2' HD12 ' A' ' 100' ' ' ILE . 47.1 mttm -60.02 -31.55 70.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 53.109999999999999 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -85.68 -20.53 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 65.519999999999996 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.62 -12.19 56.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 70.2 t80 -80.12 -21.63 43.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.595 ' HB1' ' HE2' ' A' ' 55' ' ' LYS . . . -86.37 -28.67 23.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 73.310000000000002 109.307 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.881 HD12 ' CB ' ' A' ' 2' ' ' ALA . 30.8 mm -56.65 -45.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 73.319999999999993 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.7 mt -69.93 -65.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m-20 -44.24 103.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 28.8 mt-30 -84.62 -16.57 41.58 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.693 1.711 . . . . 73.230000000000004 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.7 p30 -118.3 -6.61 10.8 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.897 -1.049 . . . . 65.140000000000001 109.977 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.595 ' HE2' ' HB1' ' A' ' 49' ' ' ALA . 0.0 OUTLIER 49.55 55.8 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.3 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.4 p -74.44 -11.38 60.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.39 -17.43 40.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 51.25 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -141.83 -175.43 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 111.038 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 11.7 mt -126.89 79.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 71.049999999999997 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -49.45 166.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 110.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.86 -33.0 74.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.329999999999998 110.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -73.95 -20.96 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.242 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 66' ' ' LEU . 12.1 mt-10 -94.47 -17.72 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 63.310000000000002 110.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.45 -46.04 91.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -62.82 -14.06 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 63.439999999999998 109.294 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.854 HD22 ' NE2' ' A' ' 69' ' ' GLN . 13.4 mt -90.33 16.85 7.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 63.329999999999998 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.766 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -62.97 -12.13 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.209999999999994 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 78' ' ' LEU . 8.3 mt -100.74 -12.56 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 51.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.854 ' NE2' HD22 ' A' ' 66' ' ' LEU . 29.2 mt-30 -73.97 -2.93 26.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.661 ' HB2' HG22 ' A' ' 50' ' ' ILE . 4.9 p30 -83.7 -45.29 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CB ' HD11 ' A' ' 16' ' ' LEU . 40.0 m-85 -85.68 8.48 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 tppt? -175.12 150.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 65.400000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.96 21.09 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 63.439999999999998 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.68 24.48 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 60.229999999999997 111.017 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -69.48 164.6 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 44.340000000000003 109.292 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.82 156.79 28.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 110.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 65' ' ' LYS . . . -94.51 136.3 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 52.020000000000003 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' HG ' ' A' ' 68' ' ' LEU . 1.7 mm? -70.09 136.91 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 54.109999999999999 109.32 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.4 m -61.14 146.18 48.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.239999999999995 109.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.5 -30.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -68.78 -65.21 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 4.2 mp0 -49.43 -50.52 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.329999999999998 110.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -59.94 -36.91 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 60.130000000000003 110.437 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -59.5 -49.92 75.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 75.109999999999999 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.911 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.56 -16.27 62.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 75.310000000000002 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.649 ' CE1' ' CB ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -82.62 -31.98 28.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 65.439999999999998 111.006 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -75.04 -64.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.510000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -56.03 -19.72 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 61.210000000000001 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.79 -55.21 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.310000000000002 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.73 -57.24 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 74.129999999999995 110.971 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.628 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.0 t0 -59.03 119.54 7.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 70.030000000000001 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -100.56 -17.89 16.87 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 123.622 1.677 . . . . 65.310000000000002 110.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 11.9 p-10 -93.3 -15.57 25.65 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.948 -1.025 . . . . 74.540000000000006 109.999 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 53.53 60.2 8.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 42.420000000000002 110.992 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -101.86 -21.41 14.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 73.409999999999997 109.342 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.67 -1.08 29.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.939 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -130.19 149.04 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 54.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.628 HD11 ' H ' ' A' ' 91' ' ' ASP . 3.4 mt -129.68 103.18 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.04 1.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.084 . . . . 71.510000000000005 111.028 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.474 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -82.06 -34.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 51.43 109.333 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -68.31 -28.63 67.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 53.310000000000002 109.305 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.94 -37.5 16.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.249 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 106' ' ' MET . 9.1 t80 -72.94 -31.44 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.450000000000003 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.674 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -85.5 -54.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.303 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 6.1 ptm -51.45 -20.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.040000000000006 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.852 HD11 HG11 ' A' ' 44' ' ' VAL . 11.8 pt -98.36 -43.15 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -66.09 -16.37 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 70.209999999999994 109.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 72.340000000000003 110.996 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.024 -0.361 . . . . 74.209999999999994 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mtt -101.12 84.86 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 72.109999999999999 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.722 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . -84.49 -56.32 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 71.530000000000001 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.73 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 9.2 m-85 -48.23 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 64.239999999999995 111.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' OD2' ' A' ' 9' ' ' ASP . . . -43.6 -27.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 m -100.48 -42.74 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.6 -63.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 64.510000000000005 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.679 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.4 mt -114.55 -176.34 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 66.6 mmtt -82.81 122.48 28.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 109.337 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.485 ' OD2' ' CB ' ' A' ' 4' ' ' ALA . 13.2 m-20 -59.59 -21.26 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 70.439999999999998 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.78 -19.63 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 43.43 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 16.3 mm-40 -87.95 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 65.030000000000001 110.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 13' ' ' THR . 13.6 m -40.33 -52.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.25 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -44.71 -51.35 9.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 64.219999999999999 110.371 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.39 -38.66 69.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 71.200000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -61.37 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 68' ' ' LEU . 15.1 mt -55.59 -54.3 45.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 74.150000000000006 109.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.94 -14.14 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.040000000000006 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.65 -15.53 71.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 71.109999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -133.32 28.3 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 109.279 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 149.62 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 71.120000000000005 109.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.71 153.36 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 8.23 48.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 44.420000000000002 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -123.9 24.94 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 74.430000000000007 109.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 74.2 t80 -75.07 141.13 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 110.966 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -144.66 94.14 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 31.6 p80 -61.21 -59.42 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 109.568 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 5.4 pttt -40.02 -59.93 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.1 mptp? -53.83 -54.13 42.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 63.100000000000001 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 5.1 t80 -41.61 -63.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 70.439999999999998 111.0 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.4 m-85 -52.14 -25.75 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 70.329999999999998 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 12.3 mmtt -87.54 -23.93 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.325 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.01 -31.61 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 43.310000000000002 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.554 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 m -89.35 -27.18 20.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 75.5 108.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 106.79 -13.98 41.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.679 ' HG ' HD11 ' A' ' 7' ' ' LEU . 2.6 mt -40.47 -30.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 0.772 . . . . 63.450000000000003 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.471 ' CB ' ' HG2' ' A' ' 32' ' ' LYS . 1.5 t -69.38 -59.2 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.239999999999995 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.61 -5.71 69.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 52.200000000000003 111.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 7' ' ' LEU . 15.2 mmtt -69.04 -174.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 64.430000000000007 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.2 m -98.08 146.96 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 71.120000000000005 109.993 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -63.18 -12.3 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 110.439 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.91 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 74.219999999999999 109.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 7' ' ' LEU . 6.5 pt-20 -57.34 -39.47 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 71.530000000000001 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -42.36 -47.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 54.5 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' HD12 ' A' ' 100' ' ' ILE . 22.9 mttm -54.41 -44.4 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . 2.6 mtmt -75.05 -20.5 59.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -11.62 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 75.1 t80 -85.44 -20.68 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.041 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -83.58 -43.1 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.722 HD12 ' CB ' ' A' ' 2' ' ' ALA . 6.7 mm -40.49 -47.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 70.299999999999997 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 66' ' ' LEU . 6.8 mt -70.96 -64.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 75.120000000000005 109.335 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 73.3 m-20 -43.26 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 50.5 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 12.2 mt-30 -88.15 -33.34 18.25 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.594 1.664 . . . . 64.319999999999993 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -98.07 -6.25 32.14 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 117.93 -1.033 . . . . 64.109999999999999 109.998 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 1.041 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 7.9 mmmt 49.49 54.51 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.297 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -74.72 -6.95 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.120000000000005 110.002 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 -5.4 71.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 63.039999999999999 110.984 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.08 -178.22 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 63.130000000000003 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 59' ' ' ILE . 24.9 mt -127.64 81.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 62.219999999999999 109.254 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -48.13 175.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 110.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.28 -28.28 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.345 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -80.73 -21.99 40.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.510000000000005 110.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -85.93 -22.55 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 60.310000000000002 110.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 98' ' ' ILE . 10.9 mt -60.82 -40.12 91.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.340000000000003 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -67.56 -13.11 61.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.008 HD22 ' NE2' ' A' ' 69' ' ' GLN . 11.3 mt -94.44 26.9 3.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 70.400000000000006 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.792 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -70.03 -11.36 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 111.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 16' ' ' LEU . 31.5 mt -102.0 -13.58 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 65.209999999999994 109.345 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 1.008 ' NE2' HD22 ' A' ' 66' ' ' LEU . 49.5 mt-30 -71.1 -5.71 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.549999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.678 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.1 p30 -82.75 -45.19 14.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 71.450000000000003 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.73 ' CE2' ' CE1' ' A' ' 3' ' ' PHE . 34.5 m-85 -83.43 10.02 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 111.034 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.47 147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 71.239999999999995 109.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.47 29.8 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.74 29.38 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 71.099999999999994 110.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.27 158.06 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 70.409999999999997 109.264 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.38 160.21 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 110.281 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.13 145.56 29.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 72.25 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 1.9 mm? -76.64 168.29 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 71.310000000000002 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.8 t -77.68 167.89 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 55.439999999999998 110.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -24.28 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.439999999999998 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.21 -51.89 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 61.43 109.357 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -52.84 -55.45 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 74.530000000000001 110.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 m -56.49 -30.53 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 63.43 110.418 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -68.24 -62.81 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.729 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -48.45 -24.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -80.01 -40.81 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.0 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 64' ' ' LEU . 48.2 tp -60.62 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -54.25 -31.09 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -57.4 -36.07 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -71.53 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 35.149999999999999 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.565 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.2 t0 -45.21 119.83 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 109.263 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -12.48 19.48 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 123.607 1.67 . . . . 72.409999999999997 110.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.8 p-10 -104.43 -9.15 18.63 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.862 -1.066 . . . . 70.040000000000006 109.944 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 47.51 62.78 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 73.230000000000004 111.013 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -105.08 -23.04 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 73.239999999999995 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 -0.7 22.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 43.130000000000003 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -130.81 154.46 48.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 72.409999999999997 109.279 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.565 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.8 mt -130.43 108.52 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 74.030000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.13 -162.94 10.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 74.299999999999997 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -83.86 -34.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 64.349999999999994 109.279 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -28.96 66.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 64.510000000000005 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.73 -33.95 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 71.109999999999999 110.311 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 12.4 t80 -76.35 -31.44 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.79 -4.03 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 65.310000000000002 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.46 -54.3 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 63.329999999999998 109.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 3.8 ptm -51.67 -21.21 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.329999999999998 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 44' ' ' VAL . 12.6 pt -97.42 -43.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 65.25 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -66.87 -15.85 63.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 51.210000000000001 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 60.299999999999997 110.959 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 2' ' ' ALA . 7.8 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.954 -0.387 . . . . 73.010000000000005 109.954 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.941 ' HG3' ' HB2' ' A' ' 4' ' ' ALA . 7.2 tpt -62.02 78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 110.983 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.984 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.27 -50.05 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 109.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.109 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.5 m-85 -48.66 -24.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 74.25 111.007 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.941 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -42.15 -28.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 61.210000000000001 109.322 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 m -79.26 -53.55 6.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 110.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 3.6 t -63.58 -62.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.099999999999994 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.1 mt -105.76 175.37 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.0 131.2 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 63.25 109.331 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.12 -34.95 46.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.23 -26.14 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 23.02 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mm-40 -76.62 -62.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.049999999999997 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.6 m -52.08 -31.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 50.240000000000002 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.29 -52.24 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.409999999999997 110.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.41 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 109.286 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.13 -27.76 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 71' ' ' PHE . 10.3 mt -79.42 -29.36 41.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.87 -23.4 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 70.129999999999995 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.19 -7.01 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.020000000000003 110.992 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.74 24.46 5.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.281 -1.007 . . . . 74.349999999999994 108.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.97 -39.06 63.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.336 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -80.65 135.52 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 75.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 124.63 23.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.46 -3.85 85.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 65.349999999999994 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.4 t -99.95 10.79 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 0.724 . . . . 70.400000000000006 110.028 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 9.4 t80 -83.15 108.67 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 62.030000000000001 111.005 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.6 m-20 -111.59 95.07 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 65.329999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -40.75 -62.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 73.040000000000006 109.613 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -42.72 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' LYS . 6.0 mmmm -48.67 -59.95 3.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.129999999999995 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.6 t80 -39.5 -63.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.450000000000003 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CG ' HG22 ' A' ' 107' ' ' ILE . 42.5 m-85 -59.08 -26.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 72.409999999999997 110.931 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.5 mtpm? -80.59 -18.47 48.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 109.286 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -83.78 -62.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.564 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -64.99 -18.13 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 71.150000000000006 108.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.99 -4.41 78.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 71.200000000000003 110.994 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.38 -31.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 72.439999999999998 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.1 t -68.35 -52.21 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 70.140000000000001 110.034 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -82.94 -0.94 90.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 53.450000000000003 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' GLY . 18.9 mmtt -68.38 -171.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 75.230000000000004 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -103.61 137.89 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.025 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -52.26 -20.7 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.230000000000004 110.388 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -61.31 -63.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 63.240000000000002 109.308 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' ALA . 6.3 pt-20 -59.79 -38.45 81.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.329 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 107' ' ' ILE . 70.0 t -43.36 -51.44 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -59.9 -37.67 80.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 60.119999999999997 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.5 mtpm? -73.56 -20.53 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -80.96 -35.51 32.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 70.319999999999993 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 59' ' ' ILE . 84.1 t80 -62.29 -21.59 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.29 -12.61 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 50.109999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.109 HG21 ' CD1' ' A' ' 3' ' ' PHE . 14.2 mm -70.77 -59.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.91 -70.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.354 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 2.0 t0 -41.02 103.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 72.519999999999996 109.314 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.9 mt-30 -93.59 -41.66 9.62 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 123.634 1.683 . . . . 75.219999999999999 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 29.2 p30 -73.69 -20.31 60.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.919 -1.039 . . . . 72.5 109.967 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 53.76 25.1 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 109.329 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' CG ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -48.25 -24.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 110.044 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.05 -54.83 0.77 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 62.539999999999999 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CG ' ' NZ ' ' A' ' 97' ' ' LYS . 14.5 m-85 -127.22 134.68 50.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 72.109999999999999 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 63' ' ' GLU . 96.4 mt -68.71 83.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 71.340000000000003 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.16 166.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 63.100000000000001 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -53.4 -34.51 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 64.420000000000002 110.321 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.69 -26.47 67.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.73 ' HB3' HG23 ' A' ' 59' ' ' ILE . 18.6 mt-10 -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.049999999999997 110.293 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 98' ' ' ILE . 11.9 mt -51.45 -54.07 30.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 64.430000000000007 109.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' HG3' HD23 ' A' ' 66' ' ' LEU . 8.0 ptpt -53.95 -20.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 53.109999999999999 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.58 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.5 mt -92.77 27.38 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 64.219999999999999 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 79.1 t80 -77.72 2.79 15.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.129999999999995 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.0 mt -117.92 -7.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.310000000000002 109.304 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.92 1.05 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.647 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.7 p30 -84.4 -46.02 12.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 61.310000000000002 109.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 53.0 m-85 -81.4 4.11 22.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -175.15 149.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.7 24.68 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 64.200000000000003 109.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.32 21.01 0.84 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.93 151.69 22.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 0.8 . . . . 62.329999999999998 109.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -61.59 -170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.219999999999999 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -135.3 124.43 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 64.25 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mm? -40.37 134.19 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 52.530000000000001 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -61.66 167.22 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 54.200000000000003 109.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -23.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.297 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.84 -61.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.287 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.6 mp0 -49.44 -22.78 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 72.450000000000003 110.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.0 m -89.37 -28.7 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 61.240000000000002 110.403 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.5 mtpt -74.89 -40.36 60.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 72.439999999999998 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.35 -39.12 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.7 t80 -81.19 -15.72 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 52.43 111.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 64' ' ' LEU . 46.0 tp -82.32 -52.11 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.54 -26.7 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 65.329999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -55.12 -65.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 53.32 109.313 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.58 -72.96 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.112 . . . . 63.299999999999997 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -44.9 119.67 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 60.43 109.298 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 t -100.62 -37.95 8.55 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 123.611 1.672 . . . . 71.209999999999994 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.6 p-10 -72.9 -9.53 58.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 117.936 -1.031 . . . . 72.140000000000001 110.007 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.21 53.25 31.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 111.016 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.53 -22.91 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 71.439999999999998 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 13.05 23.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.546 ' NZ ' ' CG ' ' A' ' 58' ' ' PHE . 4.9 mtmp? -135.46 147.41 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.75 . . . . 71.209999999999994 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.908 HD12 HD21 ' A' ' 64' ' ' LEU . 3.8 mt -123.45 107.52 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.8 -163.88 32.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 63.140000000000001 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -83.75 -39.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 55.100000000000001 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -16.63 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 73.340000000000003 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -98.63 -38.72 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 64.010000000000005 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.47 -26.6 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 74.349999999999994 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.19 -12.51 49.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 64.219999999999999 109.321 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.69 -51.59 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 22.350000000000001 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.05 -18.37 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 111.033 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.753 HD11 ' CG1' ' A' ' 44' ' ' VAL . 24.5 pt -100.61 -44.99 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 62.329999999999998 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -30.69 63.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 54.229999999999997 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 31.399999999999999 110.982 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.023 -0.362 . . . . 74.340000000000003 110.023 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.47 119.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.776 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -75.78 -41.14 53.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 64.239999999999995 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.6 m-85 -59.24 -15.61 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 62.450000000000003 110.982 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 50.020000000000003 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 p -82.13 -54.61 5.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 110.07 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.84 -63.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.420000000000002 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -115.97 -176.42 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 54.530000000000001 109.302 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -93.79 136.17 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 109.285 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -60.16 -16.09 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 55.539999999999999 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.64 -25.01 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 44.210000000000001 109.329 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -86.96 -66.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.219999999999999 110.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.7 m -41.28 -40.54 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.32 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.59 -54.44 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 110.426 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -49.89 -36.01 25.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.748 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -69.19 -36.14 76.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.759 HD11 ' CB ' ' A' ' 71' ' ' PHE . 11.9 mt -67.18 -36.0 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 65.049999999999997 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -89.4 -15.99 31.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 42.439999999999998 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -68.72 -6.78 52.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 45.420000000000002 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 22.8 p -137.19 24.19 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.324 -0.991 . . . . 44.409999999999997 108.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -56.16 -46.77 79.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 65.120000000000005 109.264 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 98.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 62.420000000000002 109.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.84 130.06 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.52 39.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 50.039999999999999 110.995 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.99 18.0 15.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 74.010000000000005 109.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.59 124.3 26.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.965 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 6.2 m-20 -130.7 86.37 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 109.336 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' NE2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 p-80 -40.0 -56.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 62.43 109.57 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 29.0 mtmt -47.6 -45.31 27.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 47.9 mmtt -62.63 -59.7 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.345 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.748 ' CE1' ' HB1' ' A' ' 15' ' ' ALA . 2.1 t80 -39.05 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.340000000000003 110.958 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 57.9 m-85 -52.09 -36.64 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 73.129999999999995 111.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -73.89 -23.31 59.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.340000000000003 109.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -73.34 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 43.43 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -62.37 -20.43 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.310000000000002 108.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.32 -11.25 54.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 110.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' PHE . 11.0 mt -40.45 -37.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 74.25 109.335 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -69.54 112.03 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 64.219999999999999 109.969 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 -20.98 41.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 52.109999999999999 110.998 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -53.84 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 51.219999999999999 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 44' ' ' VAL . 66.5 m -84.26 139.56 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 55.100000000000001 110.028 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -63.95 -11.3 27.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.404 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -76.11 -54.56 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 70.329999999999998 109.309 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.0 -38.24 82.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 73.299999999999997 110.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 78.4 t -48.88 -55.58 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 64.549999999999997 109.29 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 39.6 mttm -45.53 -34.45 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 63.109999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 8.2 mmmm -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.14 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 33.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 59' ' ' ILE . 65.9 t80 -59.4 -23.99 63.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.510000000000005 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.37 -20.31 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 109.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 2' ' ' ALA . 12.7 mm -70.01 -47.88 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 8.3 mt -71.1 -68.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 70.140000000000001 109.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 59' ' ' ILE . 6.1 m-20 -43.84 103.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 63.130000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -88.84 -13.05 40.2 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.633 1.683 . . . . 74.340000000000003 110.334 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.3 p30 -108.25 -23.57 11.87 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.932 -1.032 . . . . 54.219999999999999 109.964 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 1.9 mmmm 58.21 21.74 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 74.319999999999993 109.351 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.14 -53.65 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 64.329999999999998 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.92 -36.56 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 110.978 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -140.42 132.32 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 71.420000000000002 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 67.0 mt -68.17 103.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 72.409999999999997 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.98 169.73 16.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 62.439999999999998 110.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -59.18 -24.63 63.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 110.255 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.26 -17.22 55.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.030000000000001 110.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -96.4 -26.89 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 110.31 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 98' ' ' ILE . 10.6 mt -61.6 -25.63 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.030000000000001 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' NZ ' ' HB1' ' A' ' 77' ' ' ALA . 9.0 ptmm? -83.81 -11.93 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.140000000000001 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 51' ' ' ILE . 10.0 mt -97.44 20.04 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 40.3 t80 -61.18 -13.6 19.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 71.519999999999996 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.95 -12.24 18.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 65.329999999999998 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 50.4 mt-30 -74.72 -2.05 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 71.340000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.707 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.0 p30 -82.61 -43.45 16.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 48.9 m-85 -85.78 9.35 16.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.099999999999994 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 3.4 tmtt? -179.02 148.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.278 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.81 29.93 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 64.200000000000003 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.22 27.29 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.84 153.53 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 71.150000000000006 109.299 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.8 ptt180 -57.37 -177.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.209999999999994 110.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB1' ' NZ ' ' A' ' 65' ' ' LYS . . . -127.84 111.86 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.2 mm? -41.22 139.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 61.229999999999997 109.309 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -67.92 161.98 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 73.340000000000003 110.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -49.14 -24.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -81.03 -63.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -52.11 -22.52 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.7 m -92.43 -23.92 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 19.0 mtpt -68.04 -58.48 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.13 -16.07 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 54.009999999999998 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.579 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -86.81 -38.01 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.120000000000005 110.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 64' ' ' LEU . 57.0 tp -65.69 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.45 -19.4 14.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.2 -55.81 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 75.530000000000001 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.03 -60.51 1.13 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.576 ' H ' HD11 ' A' ' 98' ' ' ILE . 2.6 t0 -45.01 122.3 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -54.29 4.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.648 1.69 . . . . 60.420000000000002 109.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 95' ' ' ASP . 3.6 p30 -87.72 7.59 29.52 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.884 -1.055 . . . . 74.230000000000004 109.968 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.66 51.54 1.92 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 52.520000000000003 110.999 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 9.0 p-10 -81.2 -22.91 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 74.420000000000002 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.46 1.72 12.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 40.109999999999999 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.08 151.74 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 63.240000000000002 109.285 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 64' ' ' LEU . 3.1 mt -130.18 104.81 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.18 -165.04 5.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 53.43 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -83.72 -52.11 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 73.129999999999995 109.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.36 -29.33 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 62.109999999999999 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 20.0 mt-10 -86.61 -42.64 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 110.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.4 t80 -59.54 -32.3 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.53 -5.48 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.94 -54.42 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.329999999999998 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.3 ptm -52.05 -20.08 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 75.439999999999998 110.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 14.9 pt -99.79 -43.67 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 109.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -61.08 -22.8 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.428 1.08 . . . . 62.409999999999997 111.023 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.738 ' CB ' ' HB2' ' A' ' 73' ' ' ALA . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.998 -0.371 . . . . 62.210000000000001 109.998 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.77 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 64.239999999999995 111.019 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.848 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -86.91 -26.87 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.049999999999997 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.154 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.92 -5.3 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 55.32 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -15.42 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 63.420000000000002 109.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -107.22 -38.32 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 61.119999999999997 109.96 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.469 HG12 ' HG ' ' A' ' 7' ' ' LEU . 63.4 t -63.66 -62.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 64.219999999999999 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 34' ' ' CYS . 6.0 mt -113.19 -176.52 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 61.200000000000003 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 1.3 mmmp? -82.55 118.29 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.98 -19.99 55.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.030000000000001 109.354 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.13 -20.64 29.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 71.400000000000006 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 85.5 mt-10 -87.69 -65.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 m -40.8 -34.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 61.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.75 -51.05 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.42 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -56.44 -34.15 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.5 -21.77 60.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 50.219999999999999 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' CB ' ' A' ' 71' ' ' PHE . 6.1 mt -88.8 -29.95 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 63.219999999999999 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.95 -24.43 23.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.26 -12.48 81.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 54.200000000000003 111.0 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.3 p -108.97 -18.18 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.303 -0.999 . . . . 73.310000000000002 108.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -40.28 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 60.43 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -78.56 109.41 12.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.55 146.73 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 52.409999999999997 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.79 18.88 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 51.32 111.036 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.6 t -123.04 13.11 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 63.539999999999999 109.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.1 t80 -91.59 116.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.120000000000005 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 53.7 t0 -114.81 94.48 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.756 ' NE2' ' HB1' ' A' ' 89' ' ' ALA . 2.1 p80 -39.91 -48.59 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.150000000000006 109.569 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 18.5 mtmt -50.31 -48.49 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 72.519999999999996 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 42.0 mmtt -65.48 -58.28 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 63.450000000000003 109.263 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 13.7 t80 -38.45 -63.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 111.028 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 22.9 m-85 -54.27 -35.52 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 71.439999999999998 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -74.46 -19.97 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.72 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 63.329999999999998 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.4 p -61.64 -20.76 63.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 108.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.64 -10.17 60.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.948 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.5 mt -40.14 -30.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 72.340000000000003 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 35' ' ' GLY . 16.6 p -73.98 120.48 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 60.340000000000003 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.44 -17.77 57.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 110.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -54.77 -170.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 75.209999999999994 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -94.53 138.25 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 72.219999999999999 110.012 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -54.89 -18.61 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -65.48 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.209999999999994 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.0 pt-20 -56.82 -41.58 78.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 72.219999999999999 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 107' ' ' ILE . 55.5 t -45.31 -44.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 10.9 mttm -66.81 -45.27 78.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 53.32 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 11.7 mmtt -64.01 -20.92 66.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 62.039999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.94 -39.62 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 2.3 t80 -63.87 -20.67 66.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 111.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.73 -5.5 59.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 53.530000000000001 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.154 HG21 ' CD2' ' A' ' 3' ' ' PHE . 7.6 mm -77.78 -53.68 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 109.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' CE2' ' A' ' 48' ' ' PHE . 1.4 m-20 -42.08 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.030000000000001 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.82 -15.83 31.46 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.589 1.661 . . . . 73.109999999999999 110.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 11.4 p-10 -116.71 -18.43 10.27 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 117.929 -1.034 . . . . 74.310000000000002 110.034 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HZ2' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 62.39 29.67 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.040000000000006 109.266 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.455 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.5 p -45.98 -27.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.329999999999998 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 122.75 -13.84 8.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.4 m-85 -153.36 174.95 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 75.540000000000006 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -116.6 88.39 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 75.129999999999995 109.335 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -69.23 160.65 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 65.140000000000001 110.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -40.0 -34.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.519999999999996 110.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -56.54 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.54 -28.82 69.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 65.329999999999998 110.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 83' ' ' THR . 8.7 mt -51.9 -61.65 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 64.150000000000006 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -57.13 -17.95 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.59 27.78 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 51.200000000000003 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 85.7 t80 -78.09 4.59 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 71.239999999999995 111.033 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -117.77 -9.65 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 70.519999999999996 110.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.751 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.4 p-10 -83.35 -45.17 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.751 ' CD2' ' ND2' ' A' ' 70' ' ' ASN . 51.6 m-85 -83.32 5.64 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 74.030000000000001 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.73 ' NZ ' ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -175.32 149.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.040000000000006 109.31 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 0' ' ' SER . . . -101.27 22.52 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -147.45 17.8 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 61.310000000000002 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.62 -173.12 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 75.439999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 12.2 ptt180 -108.8 171.51 7.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 73.140000000000001 110.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 126.07 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.9 mm? -51.36 151.78 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.25 109.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 t -65.3 168.57 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 63.340000000000003 110.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -63.21 -25.07 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 71.25 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -38.4 15.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 62.420000000000002 109.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.71 -45.63 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 55.299999999999997 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.671 HG23 ' HB3' ' A' ' 64' ' ' LEU . 2.8 m -70.64 -21.06 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 52.240000000000002 110.441 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.945 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.95 -15.44 31.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 54.329999999999998 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -81.2 -35.79 30.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.5 111.037 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 98' ' ' ILE . 56.3 tp -68.73 -65.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 44.32 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.81 -19.49 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 72.120000000000005 109.361 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.945 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.03 -35.45 80.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 54.520000000000003 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.92 -62.56 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 73.239999999999995 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -57.75 93.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 74.409999999999997 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.7 t -82.64 3.09 30.31 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.641 1.686 . . . . 72.439999999999998 109.957 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -118.59 -5.27 10.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 117.933 -1.032 . . . . 51.130000000000003 109.985 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.76 69.88 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 43.219999999999999 111.005 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.62 -22.96 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 0.702 . . . . 74.519999999999996 109.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.92 -1.83 14.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 64.25 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -143.03 156.14 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 73.340000000000003 109.335 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.592 HD12 HD21 ' A' ' 64' ' ' LEU . 2.0 mt -122.52 109.25 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.69 -162.49 27.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.459 1.099 . . . . 64.430000000000007 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -80.54 -36.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 0.793 . . . . 75.439999999999998 109.296 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -71.3 -20.25 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 70.319999999999993 109.324 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -95.29 -36.73 11.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 55.43 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 50.6 t80 -77.47 -29.77 52.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 62.539999999999999 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.618 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.22 -6.21 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 44.310000000000002 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -82.29 -55.26 4.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 34.409999999999997 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 6.6 ptm -48.68 -22.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 111.009 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 44' ' ' VAL . 4.1 pt -101.62 -45.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 109.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -58.85 -18.6 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 72.25 109.326 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 34.350000000000001 110.98 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.013 -0.366 . . . . 65.439999999999998 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mmt 38.37 39.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.420000000000002 111.044 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -77.92 -41.51 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 72.230000000000004 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.161 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -52.66 -19.79 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 111.001 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.67 -21.54 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 55.229999999999997 109.321 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -97.31 -48.31 5.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.450000000000003 110.033 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 6' ' ' VAL . 3.6 t -63.74 -62.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 36' ' ' LEU . 11.3 mt -107.28 -179.54 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 109.237 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 10.0 mmmm -84.24 120.79 26.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.333 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -59.41 -24.19 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 109.342 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.25 -19.25 39.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 63.229999999999997 109.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 62.8 mm-40 -87.23 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' ALA . 16.3 m -44.46 -31.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.333 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.84 -51.04 9.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 75.230000000000004 110.411 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -61.62 -31.28 71.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 34.450000000000003 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.53 -20.21 60.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.9 mt -88.57 -42.6 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.286 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.23 -29.38 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.318 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.06 -4.65 68.36 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 64.549999999999997 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -128.1 22.23 6.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.298 -1.001 . . . . 74.340000000000003 108.298 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -84.34 -15.81 45.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.313 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -95.33 112.36 24.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 109.27 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.47 140.06 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.281 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.8 62.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 33.229999999999997 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.9 t -128.43 7.13 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 70.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 19.6 t80 -89.42 138.89 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -136.28 97.18 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 50.1 p-80 -39.97 -56.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 109.582 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -48.31 -44.8 34.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.549999999999997 109.28 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ALA . 8.1 mmmm -62.74 -61.97 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 72.400000000000006 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.7 t80 -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 63.109999999999999 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.1 m-85 -55.86 -36.1 67.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 75.329999999999998 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -73.82 -17.33 61.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 75.230000000000004 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -81.16 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 60.450000000000003 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.998 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.2 p -64.24 -21.05 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 108.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 94.63 -5.74 70.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 70.109999999999999 110.984 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.998 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.3 mt -41.97 -28.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 75.439999999999998 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -64.96 -49.37 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 110.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -89.39 6.61 83.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.438 1.086 . . . . 70.219999999999999 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -72.64 -171.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 63.140000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.976 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.1 m -97.87 152.75 18.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 63.100000000000001 109.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -9.77 47.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 54.240000000000002 110.371 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -75.52 -63.4 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 71.140000000000001 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 40' ' ' SER . 90.5 t -47.98 -39.73 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -69.08 -32.98 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.4 mmmm -79.35 -21.11 46.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -82.82 -32.46 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -62.51 -22.46 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 65.430000000000007 111.012 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.03 56.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 109.361 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.161 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -73.01 -49.65 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 71.129999999999995 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.98 HG23 ' OD1' ' A' ' 70' ' ' ASN . 2.5 mp -63.64 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.24 103.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 73.519999999999996 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 25.2 mt-30 -90.2 -15.44 31.43 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.594 1.664 . . . . 72.099999999999994 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p-10 -120.33 -22.22 6.61 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.924 -1.036 . . . . 55.310000000000002 109.961 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp 72.2 33.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.119999999999997 109.29 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -24.17 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 121.86 -23.18 7.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 71.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.9 m-85 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 71.319999999999993 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.677 ' O ' HG22 ' A' ' 59' ' ' ILE . 45.2 mt -123.52 76.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 64.150000000000006 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' GLY . 14.0 mp0 -50.69 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.150000000000006 110.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 96' ' ' GLY . 64.7 tt0 -57.61 -32.21 66.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 110.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.96 -17.08 62.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 74.519999999999996 110.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -94.42 -21.54 18.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 110.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.38 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 109.315 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -55.89 -19.1 10.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 69' ' ' GLN . 87.0 mt -92.83 27.59 2.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 67' ' ' PHE . 39.6 t80 -79.05 4.98 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.2 mt -106.31 -14.44 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 65.099999999999994 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.652 ' NE2' HD22 ' A' ' 66' ' ' LEU . 74.7 mt-30 -83.59 1.99 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.98 ' OD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -80.22 -49.87 11.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 109.344 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.789 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 60.5 m-85 -86.64 16.4 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.129999999999995 110.99 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 16.5 tttp -177.88 143.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.348 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.17 28.5 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 55.130000000000003 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.77 30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 64.310000000000002 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.51 156.92 19.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 75.030000000000001 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.06 173.81 5.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 74.420000000000002 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.96 145.47 41.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 44.130000000000003 109.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.667 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 2.8 mm? -64.03 175.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 70.030000000000001 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 31.3 t -87.92 -171.8 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 75.299999999999997 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.54 -33.29 58.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 65.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.33 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 51.149999999999999 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 9.1 mt-10 -48.42 -55.72 10.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 71.549999999999997 110.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.4 m -55.48 -38.85 69.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.407 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -56.82 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.310000000000002 109.281 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.841 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -61.53 -16.29 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -87.32 -33.89 19.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 61.409999999999997 111.012 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 35.3 tp -72.48 -64.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -55.72 -19.45 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.76 -54.12 40.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.08 -54.88 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 110.994 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.61 ' H ' HD11 ' A' ' 98' ' ' ILE . 1.9 t70 -51.9 123.21 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 63.409999999999997 109.295 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t -82.99 -54.34 5.14 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.642 1.687 . . . . 71.230000000000004 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.444 ' OD2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -91.03 10.71 25.58 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.911 -1.043 . . . . 43.140000000000001 109.997 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 37.67 51.93 1.92 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 43.549999999999997 111.043 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.444 ' CB ' ' OD2' ' A' ' 93' ' ' ASP . 7.7 p30 -79.2 -23.08 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 74.109999999999999 109.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' GLU . . . 117.27 2.79 17.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 52.539999999999999 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -130.6 144.16 51.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 72.329999999999998 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.671 HD12 HD21 ' A' ' 64' ' ' LEU . 3.9 mt -129.17 102.87 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.5 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -72.9 -162.83 6.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 73.540000000000006 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -82.64 -38.17 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 73.140000000000001 109.296 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -29.53 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 54.210000000000001 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.12 -44.35 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 110.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 55.4 t80 -63.13 -28.97 70.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.88 -10.65 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.12 -53.93 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 60.100000000000001 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 8.0 ptm -51.5 -18.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.239999999999995 111.018 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.648 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -107.13 -34.85 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 63.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 47.2 tttt -72.54 -13.72 61.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 43.530000000000001 111.069 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.025 -0.361 . . . . 61.310000000000002 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 mtt -90.53 164.62 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.439999999999998 111.0 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.95 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.21 -54.13 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 60.299999999999997 109.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.128 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.3 m-85 -54.37 -18.46 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.340000000000003 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -21.36 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -93.98 -49.38 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 70.219999999999999 110.033 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 50' ' ' ILE . 3.4 t -63.89 -63.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 34' ' ' CYS . 5.8 mt -111.23 -176.39 2.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 12' ' ' VAL . 4.1 mptt -72.34 147.71 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 70.129999999999995 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -81.95 -29.27 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 53.200000000000003 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.89 24.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.519999999999996 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 46.3 mm-40 -67.52 -57.59 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 63.439999999999998 110.255 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG12 ' SG ' ' A' ' 34' ' ' CYS . 19.4 m -53.54 -34.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.2 m -56.91 -48.58 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 70.010000000000005 110.361 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.02 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -87.53 -25.04 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 62.140000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD11 ' CB ' ' A' ' 71' ' ' PHE . 12.1 mt -76.59 -34.21 58.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 71.030000000000001 109.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.66 -25.37 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 65.420000000000002 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.09 0.41 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.4 p -134.88 22.06 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 65.030000000000001 108.27 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -83.77 -15.57 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 70.25 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.751 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -101.29 103.14 14.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 54.140000000000001 109.347 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.62 132.97 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.349999999999994 109.26 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.32 24.26 76.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.751 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 2.8 p -132.97 8.59 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 72.310000000000002 109.976 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.0 t80 -83.74 136.9 33.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.349999999999994 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -135.03 96.42 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 26.8 p-80 -42.07 -59.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 65.099999999999994 109.588 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mmmm -44.13 -45.46 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 64.049999999999997 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 17.1 mmtp -64.62 -39.22 93.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 t80 -59.9 -62.81 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 61.32 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.7 m-85 -61.06 -36.7 80.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.439999999999998 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.7 tttm -74.82 -20.39 59.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 64.430000000000007 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -79.96 -51.5 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.039999999999999 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.732 ' SG ' HG12 ' A' ' 12' ' ' VAL . 10.1 t -76.4 -25.66 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 108.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 105.07 -11.53 48.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 70.209999999999994 110.994 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.3 mt -40.21 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 65.430000000000007 109.314 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.6 t -72.91 124.58 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.976 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.61 7.36 71.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -76.21 -171.57 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.959 ' O ' HG23 ' A' ' 44' ' ' VAL . 48.5 m -98.03 151.28 20.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 51.140000000000001 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.717 HG22 ' HD2' ' A' ' 45' ' ' LYS . 86.9 m -64.71 -20.89 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 110.39 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.16 -54.38 38.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 63.329999999999998 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.9 pt-20 -72.28 -44.43 62.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 40' ' ' SER . 74.5 t -47.22 -41.68 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 64.310000000000002 109.343 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.717 ' HD2' HG22 ' A' ' 41' ' ' THR . 5.0 mtpm? -60.35 -35.75 76.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 54.32 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.9 mmmm -72.57 -41.52 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 64.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.5 72.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 71.239999999999995 109.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 61.7 t80 -64.5 -22.16 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 74.25 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.12 -16.58 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 63.530000000000001 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.128 HG21 ' CD1' ' A' ' 3' ' ' PHE . 16.7 mm -69.83 -49.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 65.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.037 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.6 mp -62.52 -65.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 61.399999999999999 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 82.9 m-20 -40.4 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.341 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -92.33 -14.69 28.38 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 123.624 1.678 . . . . 74.219999999999999 110.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -120.59 -13.44 8.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.873 -1.06 . . . . 74.329999999999998 109.961 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp 61.27 36.87 17.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 61.140000000000001 109.31 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.428 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.3 p -57.07 -41.89 79.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 141.75 -21.39 2.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 74.140000000000001 111.039 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 36.9 m-85 -147.76 -175.39 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 61.210000000000001 110.981 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 59' ' ' ILE . 31.0 mt -119.91 77.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.1 mp0 -52.41 158.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 110.238 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -44.73 -36.49 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 71.510000000000005 110.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.7 -39.43 93.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' GLU . 48.1 mt-10 -69.86 -38.96 76.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 98' ' ' ILE . 12.6 mt -49.92 -62.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 34.530000000000001 109.269 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -52.98 -21.35 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD22 ' OE1' ' A' ' 69' ' ' GLN . 24.0 mt -96.66 27.46 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 70.150000000000006 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 23.0 t80 -71.52 -3.57 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 76' ' ' ARG . 13.5 mt -100.12 -21.25 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.515 ' OE1' HD22 ' A' ' 66' ' ' LEU . 22.5 mt-30 -79.26 1.44 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 1.037 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -80.43 -48.69 12.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 73.329999999999998 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 73.0 m-85 -85.53 14.56 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 54.539999999999999 110.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 2.1 ttpm? -178.04 141.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.18 29.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 72.540000000000006 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.09 27.18 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -82.47 175.05 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 65.120000000000005 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -88.98 -172.93 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.010000000000005 110.323 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -121.03 145.38 47.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 75.430000000000007 109.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.5 mm? -70.57 163.15 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.400000000000006 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.429 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 46.1 t -74.25 166.54 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 53.009999999999998 110.031 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.68 -25.08 64.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 109.35 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.62 -56.59 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 62.549999999999997 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 10.3 mt-10 -41.58 -48.87 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 110.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.5 m -65.11 -36.73 85.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 63.439999999999998 110.441 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.4 mmtt -61.99 -41.98 98.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 61.310000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -71.27 -42.83 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE2' ' CE ' ' A' ' 106' ' ' MET . 6.6 t80 -73.58 -11.6 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 110.984 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.809 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.8 tp -84.07 -53.73 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.02 -33.4 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.219999999999999 109.254 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -50.26 -31.11 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 74.540000000000006 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -115.57 -61.64 0.36 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 42.130000000000003 111.039 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 13.7 t0 -55.2 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 73.140000000000001 109.279 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -64.69 -54.63 28.54 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.651 1.691 . . . . 74.25 109.991 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 102' ' ' GLU . 11.9 p30 -71.01 -14.6 62.4 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.928 -1.034 . . . . 62.140000000000001 109.995 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.58 70.2 0.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 43.520000000000003 111.004 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.77 -14.92 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 64.340000000000003 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 1.49 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 111.025 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -146.2 167.85 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 73.510000000000005 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.898 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -127.73 107.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.26 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.81 -162.26 33.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 44.130000000000003 111.041 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -80.29 -38.71 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 72.540000000000006 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -17.01 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 93' ' ' ASP . 60.2 mt-10 -99.89 -40.11 7.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 110.239 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 57.7 t80 -75.95 -26.16 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 72.349999999999994 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.09 -11.14 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 60.229999999999997 109.328 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.26 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.519999999999996 109.264 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 4.2 ptm -50.32 -19.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 63.43 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.718 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -106.41 -37.47 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 60.43 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 19.6 tttm -69.38 -13.9 62.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 51.43 111.013 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.981 -0.377 . . . . 61.5 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttm 45.95 43.67 10.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 74.120000000000005 110.994 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -69.87 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.109999999999999 109.296 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.209 ' CD1' HG21 ' A' ' 50' ' ' ILE . 3.2 m-85 -66.67 -8.56 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -49.18 146.85 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 45.219999999999999 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 1.1 m 84.06 -0.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.34 -61.68 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 63.409999999999997 109.307 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.329999999999998 109.334 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . 23.4 tttt -79.25 119.41 22.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 65.430000000000007 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.25 -21.28 63.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 62.350000000000001 109.269 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -16.85 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 62.310000000000002 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 22.3 mm-40 -88.0 -64.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 23.32 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -41.89 -29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 61.329999999999998 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -49.67 -51.03 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 61.119999999999997 110.431 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -60.62 -36.29 78.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 41.509999999999998 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -64.71 -20.86 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 43.350000000000001 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 71' ' ' PHE . 14.4 mt -86.05 -51.84 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 65.340000000000003 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.47 -11.46 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 72.439999999999998 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -63.25 -11.41 39.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 35.409999999999997 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -132.78 21.76 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.331 -0.989 . . . . 74.400000000000006 108.331 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -44.08 -46.06 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 122.42 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.285 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.68 121.1 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 60.509999999999998 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 101.73 10.86 39.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 44.119999999999997 110.957 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -133.04 22.56 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 64.109999999999999 110.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 32.1 t80 -78.51 139.2 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -134.18 81.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.230000000000004 109.307 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 33.3 p-80 -39.86 -55.3 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 70.430000000000007 109.62 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 35.3 mmtt -47.7 -46.06 29.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 61.200000000000003 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 16.5 mmtp -61.98 -49.92 74.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 73.219999999999999 109.265 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.7 t80 -47.34 -62.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 74.420000000000002 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.8 m-85 -58.7 -42.77 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 53.109999999999999 111.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.42 -17.4 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -79.28 -62.0 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 63.399999999999999 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.679 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.9 p -65.47 -15.57 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 108.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 92.83 -5.3 76.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 75.319999999999993 111.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.2 mt -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.430000000000007 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.3 t -66.83 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.520000000000003 109.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.1 -7.58 57.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 72.209999999999994 110.944 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -63.15 -178.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 64.420000000000002 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.7 m -91.71 144.28 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.9 HG22 ' HZ1' ' A' ' 45' ' ' LYS . 22.7 m -63.45 -12.49 31.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 110.467 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -71.48 -55.27 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.274 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.3 pt-20 -61.47 -35.41 77.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 72.400000000000006 110.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.772 HG11 HD11 ' A' ' 107' ' ' ILE . 92.3 t -50.68 -35.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.430000000000007 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.9 ' HZ1' HG22 ' A' ' 41' ' ' THR . 26.6 mttp -68.9 -31.3 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.130000000000003 109.354 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -86.04 -20.62 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 109.285 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -83.65 -29.5 27.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 62.509999999999998 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.32 -36.06 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 64.129999999999995 111.011 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.8 -14.22 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 55.229999999999997 109.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.209 HG21 ' CD1' ' A' ' 3' ' ' PHE . 31.1 mm -69.0 -62.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.029 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.9 mp -46.52 -59.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' CE ' ' A' ' 55' ' ' LYS . 25.5 m-20 -40.52 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -88.92 -20.25 24.76 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.623 1.677 . . . . 64.25 110.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 56' ' ' SER . 2.8 p30 -117.77 -11.29 10.36 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.923 -1.037 . . . . 62.329999999999998 110.018 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 27.2 mmtm 58.38 57.07 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.298 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.442 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -81.58 -25.52 35.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 45.130000000000003 109.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.62 -33.84 3.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 31.039999999999999 111.027 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -130.02 178.03 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.540000000000006 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 22.6 mt -116.94 80.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 109.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -45.47 170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 73.430000000000007 110.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.18 -39.23 86.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.87 -19.15 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 71.099999999999994 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 26.9 mt-10 -89.49 -29.14 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 51.219999999999999 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.84 HD21 HD12 ' A' ' 98' ' ' ILE . 18.7 mt -54.28 -60.22 3.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 70.25 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 13.3 ptmt -51.62 -22.3 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 77' ' ' ALA . 16.1 mt -92.93 27.31 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 71.310000000000002 109.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 30.1 t80 -69.59 -5.84 27.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.626 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 67.5 mt -99.11 -17.53 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.420000000000002 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 66' ' ' LEU . 62.2 mt-30 -82.68 1.61 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 1.029 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.43 -49.06 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' HB2' HD21 ' A' ' 16' ' ' LEU . 74.7 m-85 -83.16 11.19 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 111.014 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 11.0 tttm -177.37 146.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 72.200000000000003 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.66 73.3 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 162.31 -26.86 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.78 144.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 62.409999999999997 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -57.67 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 71.329999999999998 110.263 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 66' ' ' LEU . . . -130.63 125.36 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 52.009999999999998 109.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.1 mm? -40.18 158.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 109.344 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 t -70.94 -172.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 64.340000000000003 110.046 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.42 -31.87 54.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 63.149999999999999 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.38 -38.58 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 71.299999999999997 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 25.2 mt-10 -61.99 -46.5 88.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.319999999999993 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 65' ' ' LYS . 66.0 m -70.13 -22.52 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 55.43 110.382 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -64.81 -58.96 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 52.229999999999997 109.326 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.773 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.55 -17.28 62.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 63.329999999999998 109.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.461 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -82.76 -39.99 21.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 111.014 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.5 tp -60.04 -64.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 70.400000000000006 109.276 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -40.61 73.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 73.319999999999993 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -40.74 -47.62 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.14 -65.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 75.120000000000005 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 4.5 t0 -65.73 93.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 73.319999999999993 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.0 t -100.65 5.36 43.79 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 123.664 1.697 . . . . 62.409999999999997 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.58 -7.62 21.66 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.903 -1.046 . . . . 62.119999999999997 109.948 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.34 51.11 55.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 70.019999999999996 110.99 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.77 -15.65 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 71.219999999999999 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' N ' ' OD2' ' A' ' 91' ' ' ASP . . . 89.74 -26.84 8.75 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 72.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 13.9 mtmm -108.35 150.58 27.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 54.520000000000003 109.266 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.84 HD12 HD21 ' A' ' 64' ' ' LEU . 4.6 mt -115.88 124.53 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 62.329999999999998 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -97.99 -162.52 30.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 54.539999999999999 111.002 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -80.96 -44.05 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 61.329999999999998 109.254 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -31.51 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 61.310000000000002 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.4 mt-10 -87.4 -46.94 9.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.3 t80 -59.25 -31.18 68.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.58 -4.47 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 63.210000000000001 109.259 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -84.84 -54.4 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 64.030000000000001 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -52.02 -21.32 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 62.310000000000002 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.772 HD11 HG11 ' A' ' 44' ' ' VAL . 15.1 pt -97.2 -43.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 109.284 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -66.96 -16.17 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.329999999999998 109.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 52.399999999999999 110.97 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.978 -0.378 . . . . 63.119999999999997 109.978 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.629 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -129.14 25.9 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 43.210000000000001 111.013 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.851 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -62.53 -49.98 73.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 71.120000000000005 109.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.15 ' CD1' HG21 ' A' ' 50' ' ' ILE . 12.8 m-85 -69.06 -8.11 42.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 64.519999999999996 111.039 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . -61.71 -15.19 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.420000000000002 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.29 -37.78 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 71.319999999999993 110.011 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 7' ' ' LEU . 59.4 t -63.65 -62.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 62.43 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.0 mt -112.38 -176.5 2.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.42 119.66 30.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 52.439999999999998 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.26 -22.24 6.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.77 -35.54 44.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -72.64 -65.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.6 m -47.7 -36.77 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 64.120000000000005 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -54.24 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 110.372 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.32 65.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 109.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -76.12 -21.93 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.94 -42.34 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.549999999999997 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.04 -15.7 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.35 -4.26 88.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 110.954 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -135.62 25.86 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.002 . . . . 73.120000000000005 108.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -78.15 -15.81 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -94.37 118.81 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 54.539999999999999 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.66 152.04 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 48.64 22.68 2.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 55.399999999999999 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -127.77 13.72 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 71.120000000000005 110.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t80 -92.71 141.21 28.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 52.219999999999999 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -134.65 94.95 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 64.219999999999999 109.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 18.9 p-80 -39.92 -62.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 4.9 mmmt -42.63 -55.75 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -49.28 -56.86 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 44.229999999999997 109.323 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 2.1 t80 -41.12 -63.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 74.019999999999996 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 65.6 m-85 -57.41 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 65.239999999999995 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 6.3 tttp -77.4 -17.26 58.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 109.338 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.15 -62.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 70.109999999999999 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.7 p -63.69 -20.62 65.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.049999999999997 108.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.63 5.6 58.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' SG ' ' A' ' 34' ' ' CYS . 13.1 mt -62.02 -16.68 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 75.140000000000001 109.378 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -72.6 -10.5 59.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.420000000000002 109.978 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.44 10.14 3.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 65.200000000000003 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 12.5 mmtt -66.53 174.91 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 74.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.1 m -79.06 140.65 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 64.219999999999999 109.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -63.3 -12.17 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.71 -53.05 6.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 72.540000000000006 109.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.3 pt-20 -65.41 -39.24 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 64.010000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 107' ' ' ILE . 50.1 t -47.07 -47.94 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 55.25 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 49.8 mttm -57.89 -31.88 67.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 62.130000000000003 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.9 mmmm -80.54 -22.4 40.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 109.261 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -78.31 -40.04 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.25 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -63.16 -20.63 65.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 110.981 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 109.309 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.15 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.9 mm -79.93 -56.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 52.149999999999999 109.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -60.87 -56.31 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 62.32 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -40.45 103.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 71.400000000000006 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.9 mt-30 -95.93 -21.2 18.19 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.582 1.658 . . . . 75.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -113.73 -2.98 13.59 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.882 -1.056 . . . . 44.210000000000001 109.973 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt 47.94 43.98 18.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.439999999999998 109.279 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -64.24 -12.0 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 34.039999999999999 110.014 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 109.17 -26.79 14.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 63.119999999999997 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.4 m-85 -144.32 179.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 74.140000000000001 111.012 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.32 84.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 109.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 175.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 110.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HG2' HG22 ' A' ' 83' ' ' THR . 14.8 tt0 -55.18 -53.27 58.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 110.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 16.8 mt-10 -52.69 -23.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.5 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.25 -25.82 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.319999999999993 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.56 ' CB ' HG23 ' A' ' 83' ' ' THR . 15.0 mt -59.05 -51.37 70.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 109.324 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 62' ' ' GLU . 6.6 ptpp? -58.35 -17.42 19.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.510000000000005 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.92 27.43 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 64.099999999999994 109.255 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 49.0 t80 -76.91 1.93 16.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 42.329999999999998 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 67' ' ' PHE . 13.5 mt -118.08 -7.76 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -88.76 1.55 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 50.439999999999998 110.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.754 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.5 p-10 -86.14 -45.29 11.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.400000000000006 109.251 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CD2' ' ND2' ' A' ' 70' ' ' ASN . 51.3 m-85 -82.99 8.59 12.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 111.009 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.52 159.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.42 31.55 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.311 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.88 24.64 0.49 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 43.299999999999997 111.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -88.63 164.84 15.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 0.717 . . . . 41.43 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.21 163.12 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.33 147.89 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 64.409999999999997 109.294 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 2.7 mm? -71.28 156.61 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.3 t -67.76 -177.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 64.099999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 4.6 m-20 -71.87 -24.41 61.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.18 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 59.8 mt-10 -57.3 -30.12 64.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 64' ' ' LEU . 29.8 m -87.96 -15.6 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.439999999999998 110.404 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 4.9 mtpm? -77.35 -65.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 73.299999999999997 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -47.3 -42.03 20.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -58.85 -34.25 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.310000000000002 111.007 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.9 tp -68.19 -62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -19.47 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 52.439999999999998 109.342 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.39 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.95 -48.78 6.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 35.219999999999999 110.993 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -66.58 85.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.759 . . . . 74.519999999999996 109.345 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.46 5.39 27.58 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 123.652 1.691 . . . . 73.049999999999997 109.997 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -122.0 0.4 9.66 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.923 -1.037 . . . . 74.299999999999997 109.972 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.05 69.94 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 72.510000000000005 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -99.48 -23.04 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 74.510000000000005 109.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.77 -10.43 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 111.033 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HG3' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.66 166.76 32.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 74.510000000000005 109.255 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.46 127.49 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 65.299999999999997 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.81 -165.46 35.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 60.130000000000003 110.967 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.499 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -81.02 -43.91 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 71.129999999999995 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.67 -24.51 61.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 109.285 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -92.26 -49.72 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 73.030000000000001 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -57.33 -30.23 64.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 51.350000000000001 111.024 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -85.75 -12.87 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.540000000000006 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.09 -50.56 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 60.520000000000003 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptm -56.91 -31.59 65.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 50.43 111.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 44' ' ' VAL . 13.9 pt -83.42 -54.04 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 71.329999999999998 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -54.59 -27.53 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 31.010000000000002 111.019 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.966 -0.383 . . . . 75.230000000000004 109.966 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.69 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 28.3 mtt -140.88 115.4 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 111.014 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.886 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -81.2 -62.32 1.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 70.400000000000006 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.155 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.4 m-85 -53.81 -19.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 1' ' ' MET . . . -51.87 -22.71 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.020000000000003 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -104.0 -38.25 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.209999999999994 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 50' ' ' ILE . 43.6 t -64.67 -62.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 75.150000000000006 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 36' ' ' LEU . 10.4 mt -115.12 176.9 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -78.95 116.53 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 54.210000000000001 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.51 -15.81 30.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -26.37 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 63.310000000000002 109.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.17 -66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 m -45.44 -36.7 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -52.65 -58.94 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.25 -29.69 65.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 62.520000000000003 109.324 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 71' ' ' PHE . 2.6 mt -82.1 -36.41 27.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.35 -15.62 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.25 -7.07 62.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 70.230000000000004 111.022 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.29 29.86 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.249 -1.019 . . . . 72.0 108.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.0 -46.75 83.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.92 136.71 48.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.21 157.94 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 61.310000000000002 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.09 21.48 17.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 110.993 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 p -132.45 13.18 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 73.340000000000003 109.994 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 3.4 t80 -91.95 136.44 33.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 62.32 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -134.48 93.02 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 64.200000000000003 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASP . 13.8 p80 -39.87 -60.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 109.567 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 -44.89 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 63.450000000000003 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' ASP . 24.4 mmtp -66.69 -59.23 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 64.019999999999996 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 22.7 t80 -38.46 -60.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 107' ' ' ILE . 18.2 m-85 -49.65 -39.69 37.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.409999999999997 111.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.1 mmmt -76.35 -22.96 54.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 75.019999999999996 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PHE . . . -81.28 -28.36 34.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 62.520000000000003 109.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 30' ' ' PHE . 3.3 m -95.64 -23.93 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 108.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 99.53 -13.9 60.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.544 1.152 . . . . 63.520000000000003 110.985 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 7' ' ' LEU . 4.5 mt -44.33 -27.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 73.540000000000006 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -45.63 87.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 110.002 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -92.07 8.49 77.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 73.319999999999993 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 20.1 mmtt -77.89 -179.61 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 73.129999999999995 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.8 m -97.16 137.64 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 109.969 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -26.23 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 110.415 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.7 -63.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -61.26 -37.27 82.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 110.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.737 HG13 HD11 ' A' ' 107' ' ' ILE . 55.8 t -45.2 -43.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 71.120000000000005 109.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -68.6 -37.2 79.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.2 mmmt -71.79 -20.46 61.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 71.439999999999998 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -85.3 -34.35 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 62.409999999999997 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.5 t80 -63.46 -21.03 66.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 63.420000000000002 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.42 -7.42 58.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.275 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.155 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.2 mm -75.53 -51.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -65.28 -63.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 109.234 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.62 92.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 63.149999999999999 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -82.7 -24.38 33.67 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 123.549 1.643 . . . . 72.099999999999994 110.255 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 1.6 p30 -70.82 -40.02 72.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.869 -1.062 . . . . 75.239999999999995 110.004 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.1 OUTLIER 73.94 51.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 71.310000000000002 109.294 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -80.88 -30.73 35.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 45.350000000000001 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.57 -35.31 2.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 110.996 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -136.53 141.78 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 71.230000000000004 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 59' ' ' ILE . 7.3 mt -72.07 80.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.33 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' GLU . 37.1 mt-10 -52.78 152.81 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 52.340000000000003 110.323 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.972 ' OE1' HD22 ' A' ' 87' ' ' LEU . 3.4 tp10 -44.1 -26.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 73.340000000000003 110.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.9 mt-10 -62.29 -52.98 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -69.03 -26.29 64.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 74.25 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' OE2' ' A' ' 61' ' ' GLU . 10.4 mt -56.18 -53.48 56.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.287 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 83' ' ' THR . 4.7 ptpt -64.71 -12.46 47.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -101.94 27.32 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 64.219999999999999 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.852 ' HB3' HD21 ' A' ' 78' ' ' LEU . 70.2 t80 -67.73 -7.51 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 44.439999999999998 111.062 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.75 HD22 HD23 ' A' ' 16' ' ' LEU . 13.7 mt -104.84 -27.26 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 73.6 mt-30 -78.16 1.76 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 64.439999999999998 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.9 p-10 -78.97 -49.15 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.833 ' CB ' HD11 ' A' ' 16' ' ' LEU . 95.0 m-85 -85.93 15.16 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.5 111.001 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 21.2 tttt -177.38 139.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.15 72.41 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 71.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 160.12 -25.79 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 70.239999999999995 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -40.05 143.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 72.150000000000006 109.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.83 167.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.200000000000003 110.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.75 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.325 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.852 HD21 ' HB3' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -43.92 165.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 74.530000000000001 109.285 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -76.94 -173.26 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 65.5 110.019 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.68 -24.91 58.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 54.329999999999998 109.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -56.6 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 63.32 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -43.82 -49.14 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.525 HG21 ' HB3' ' A' ' 65' ' ' LYS . 90.1 m -60.56 -34.31 73.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.120000000000005 110.398 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' ALA . 51.7 mttt -67.55 -41.76 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.57 -49.05 70.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 63.219999999999999 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -69.57 -12.72 61.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 73.530000000000001 110.954 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.972 HD22 ' OE1' ' A' ' 61' ' ' GLU . 25.8 tp -83.14 -59.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -68.21 -30.81 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -48.54 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 64.340000000000003 109.325 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.25 -49.84 6.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 33.030000000000001 110.983 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.533 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.7 t0 -69.67 115.23 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 74.439999999999998 109.348 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -100.35 -12.56 19.34 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.681 . . . . 62.130000000000003 109.997 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.2 p-10 -100.47 -11.29 20.29 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.875 -1.059 . . . . 72.430000000000007 109.97 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.8 69.34 0.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.947 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -108.6 -21.47 12.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 0.788 . . . . 74.049999999999997 109.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.46 4.08 15.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 61.439999999999998 111.018 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -145.34 152.12 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 74.140000000000001 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.533 HD11 ' H ' ' A' ' 91' ' ' ASP . 1.4 mt -119.79 119.91 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 109.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.44 -174.57 48.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 73.299999999999997 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -77.8 -36.74 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 65.430000000000007 109.251 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.18 -15.3 62.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 109.271 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -101.95 -35.98 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 17.8 t80 -80.08 -25.36 40.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 73.200000000000003 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.04 -11.95 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.51 -53.74 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.493 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.2 ptm -49.15 -20.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.210000000000001 111.006 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.737 HD11 HG13 ' A' ' 44' ' ' VAL . 1.4 pt -105.45 -39.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 52.530000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 16.0 tttp -66.97 -13.98 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 62.039999999999999 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 42.329999999999998 110.998 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 1' ' ' MET . 29.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.023 -0.362 . . . . 41.130000000000003 110.023 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 0' ' ' SER . 16.2 ptm 39.09 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 111.01 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.955 ' CB ' HG23 ' A' ' 50' ' ' ILE . . . -63.11 -15.14 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.450000000000003 109.311 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.804 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.4 m-85 -77.15 -4.66 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 72.239999999999995 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -15.58 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 45.240000000000002 109.251 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -114.86 -37.45 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 63.439999999999998 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.05 HG21 HD11 ' A' ' 50' ' ' ILE . 46.1 t -64.08 -62.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.019999999999996 109.266 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 34' ' ' CYS . 8.7 mt -117.35 -177.34 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -87.42 122.71 31.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.87 -17.79 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -30.67 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.59 -65.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.219999999999999 110.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.7 m -44.13 -38.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 63.32 109.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.1 m -50.49 -50.73 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 64.329999999999998 110.401 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.51 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 44.219999999999999 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -75.95 -20.58 57.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 73.510000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 68' ' ' LEU . 12.5 mt -83.42 -53.13 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.340000000000003 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.84 -16.4 61.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 72.019999999999996 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.06 -3.94 88.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 111.061 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -136.44 25.21 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.012 . . . . 52.229999999999997 108.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -81.56 109.58 16.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.321 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.56 140.28 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.200000000000003 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 59.28 18.3 42.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 111.015 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.648 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -123.67 11.57 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 71.140000000000001 110.003 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 8.1 t80 -88.42 144.58 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 110.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.53 152.33 50.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.530000000000001 109.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 31.7 p-80 -84.19 -62.78 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.62 -45.9 63.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 60.340000000000003 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' ALA . 31.2 mmtp -46.97 -66.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.409999999999997 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t80 -42.4 -62.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.423 ' CD2' HG23 ' A' ' 107' ' ' ILE . 22.2 m-85 -57.9 -23.61 53.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -86.68 -17.47 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.25 109.321 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -84.65 -58.15 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 109.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.875 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.5 p -66.34 -26.96 67.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 71.420000000000002 108.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.08 15.88 37.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 35.530000000000001 110.979 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.875 HD12 ' SG ' ' A' ' 34' ' ' CYS . 1.7 mt -61.56 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 74.120000000000005 109.299 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -56.48 114.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 4.57 54.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 45.200000000000003 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -72.32 -171.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 73.239999999999995 109.339 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -97.38 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.109999999999999 109.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.529 HG23 ' HZ3' ' A' ' 45' ' ' LYS . 1.5 m -52.68 -20.16 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.379 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -65.99 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -62.99 -41.39 99.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.329999999999998 110.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.773 HG13 HD11 ' A' ' 107' ' ' ILE . 55.3 t -47.95 -33.48 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 42.009999999999998 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HZ3' HG23 ' A' ' 41' ' ' THR . 18.7 mttp -75.14 -35.55 61.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 53.340000000000003 109.332 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 5.9 mmmm -75.41 -21.13 58.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 70.120000000000005 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.6 -29.94 41.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 41.25 109.319 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 59' ' ' ILE . 24.6 t80 -74.4 -25.5 59.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 64.200000000000003 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -3.61 33.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 61.310000000000002 109.28 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 6' ' ' VAL . 4.7 mt -83.5 -63.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 74.420000000000002 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.3 mp -53.9 -33.69 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.32 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 3.3 t0 -70.96 102.06 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 52.310000000000002 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.38 -12.9 12.31 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.667 1.699 . . . . 74.540000000000006 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 7.5 p-10 -105.94 8.26 32.45 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.872 -1.061 . . . . 74.230000000000004 109.981 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.2 mmtp 36.44 53.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 63.210000000000001 109.314 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 p -81.71 -27.09 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 107.93 -5.26 34.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 54.049999999999997 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 15.3 m-85 -159.99 -171.78 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 72.420000000000002 111.003 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 59' ' ' ILE . 23.2 mt -124.85 75.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 72.400000000000006 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.0 mp0 -54.74 160.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.049999999999997 110.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -44.61 -32.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.293 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.42 -41.08 80.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.439999999999998 110.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' GLU . 22.6 mt-10 -72.64 -29.12 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 72.439999999999998 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.99 -49.69 76.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 55.009999999999998 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -65.15 -12.36 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 63.109999999999999 109.303 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.07 26.58 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.310000000000002 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 86' ' ' PHE . 86.2 t80 -71.15 -4.33 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.5 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 16' ' ' LEU . 14.4 mt -105.98 -25.99 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 63.030000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 37.4 mt-30 -78.25 1.54 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 42.43 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 p-10 -80.78 -48.99 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 92.6 m-85 -83.79 11.2 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 72.299999999999997 111.021 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 28.4 tptt -174.99 141.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.28 24.18 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.09 20.24 0.96 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 71.519999999999996 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -78.78 172.74 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 74.030000000000001 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 77' ' ' ALA . 1.4 ppt_? -94.24 179.61 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.400000000000006 110.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.649 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -107.03 150.46 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.310000000000002 109.331 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.9 mm? -73.97 152.6 40.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.030000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' GLU . 29.2 t -60.82 144.95 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 109.977 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.27 -27.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -85.48 -43.4 13.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 109.297 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 84.1 mt-10 -55.86 -48.38 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 65' ' ' LYS . 51.1 m -65.07 -17.97 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.510000000000005 110.386 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -42.24 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 64.439999999999998 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.95 -46.95 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 62.329999999999998 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' A' ' 67' ' ' PHE . 6.9 t80 -66.1 -17.54 64.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 64' ' ' LEU . 39.7 tp -78.27 -63.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -20.51 62.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 73.040000000000006 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.11 -29.46 69.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 61.439999999999998 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.92 -71.56 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.972 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.4 t0 -47.0 121.96 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 74.25 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -100.52 -12.47 19.27 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.579 1.656 . . . . 62.329999999999998 109.995 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 10.9 p-10 -101.52 -13.33 17.94 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.886 -1.054 . . . . 74.450000000000003 110.001 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.4 54.39 27.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 61.399999999999999 111.007 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.53 -23.09 16.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 74.319999999999993 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.96 -7.49 16.98 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.469 1.106 . . . . 44.450000000000003 111.0 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -123.87 152.59 42.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 74.510000000000005 109.287 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 HD21 ' A' ' 64' ' ' LEU . 1.9 mt -125.87 107.21 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -165.18 26.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 110.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.26 -38.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 75.409999999999997 109.333 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -17.73 63.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 54.119999999999997 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.17 -39.53 8.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 110.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.404 ' O ' ' HG2' ' A' ' 106' ' ' MET . 42.7 t80 -75.85 -26.15 56.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.77 -10.19 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 71.400000000000006 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.44 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 4.5 ptm -49.66 -20.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 63.200000000000003 110.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.773 HD11 HG13 ' A' ' 44' ' ' VAL . 2.0 pt -104.96 -38.04 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.275 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 45.1 tttt -68.77 -13.77 62.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 64.319999999999993 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 73.319999999999993 110.996 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.721 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 2.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.997 -0.372 . . . . 71.340000000000003 109.997 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HG3' ' HB2' ' A' ' 4' ' ' ALA . 3.4 tpt -68.09 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.033 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -85.68 -44.96 12.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 70.430000000000007 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.9 m-85 -53.15 -19.88 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 111.006 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -52.38 -21.84 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 41.520000000000003 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -99.41 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 64.5 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 50' ' ' ILE . 11.7 t -63.88 -62.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 74.129999999999995 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 34' ' ' CYS . 13.0 mt -106.29 -176.83 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 ttmp? -89.12 121.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.319 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.2 p30 -47.88 -27.43 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.519999999999996 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.15 -40.28 46.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 53.219999999999999 109.272 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LYS . 35.3 mm-40 -65.68 -54.54 26.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 55.310000000000002 110.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.1 m -61.02 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 62.329999999999998 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -46.54 -52.0 14.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 71.430000000000007 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.85 65.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 62.409999999999997 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -73.3 -25.09 60.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 63.219999999999999 109.251 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.31 -30.52 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 109.253 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.73 -15.9 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 71.099999999999994 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.81 -17.19 52.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 43.009999999999998 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -126.89 23.82 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.307 -0.998 . . . . 63.5 108.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -73.01 -41.99 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 72.129999999999995 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 158.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 64.040000000000006 109.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.4 155.59 27.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 70.200000000000003 109.31 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 42.97 27.32 0.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 62.240000000000002 110.971 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -128.87 11.47 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 64.140000000000001 110.012 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 t80 -86.29 122.99 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 111.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.61 91.66 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.327 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 4.2 p80 -40.08 -61.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 64.019999999999996 109.569 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -40.49 -49.47 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -60.44 -54.21 48.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 1.4 t80 -42.62 -63.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.74 ' CD1' HG23 ' A' ' 107' ' ' ILE . 12.5 m-85 -56.82 -36.78 70.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.519999999999996 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -71.15 -21.1 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 75.129999999999995 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -77.31 -61.92 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 63.350000000000001 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.897 ' HB2' HD13 ' A' ' 7' ' ' LEU . 9.1 p -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.48 -14.07 60.96 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 75.010000000000005 111.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 34' ' ' CYS . 11.8 mt -40.24 -30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 71.340000000000003 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.9 t -70.09 98.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.399999999999999 109.969 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.68 0.95 36.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 51.299999999999997 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -61.5 -176.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 64.150000000000006 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -82.64 137.86 34.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 70.530000000000001 109.998 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 45' ' ' LYS . 1.4 m -59.13 -15.22 13.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.371 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.86 -56.24 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.26 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.3 pt-20 -63.74 -43.96 94.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' SER . 61.9 t -41.86 -43.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.299999999999997 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.618 ' HE3' HG22 ' A' ' 41' ' ' THR . 24.4 mttt -62.35 -46.42 88.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 72.349999999999994 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.6 mtmm -68.08 -20.53 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 109.339 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.99 -17.78 36.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 50.549999999999997 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 59' ' ' ILE . 38.5 t80 -85.4 -34.24 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -10.41 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.033 HG23 ' HB3' ' A' ' 2' ' ' ALA . 6.5 mt -68.84 -63.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.130000000000003 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.7 mp -48.85 -58.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 52.219999999999999 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -40.46 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.319999999999993 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -88.75 -16.81 31.25 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.662 1.696 . . . . 64.420000000000002 110.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 8.3 p-10 -117.56 -20.82 8.85 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.918 -1.039 . . . . 75.120000000000005 110.003 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm 69.86 31.87 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.308 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 p -50.86 -24.25 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 60.409999999999997 109.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 119.0 -20.95 9.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 74.25 111.041 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 25.2 m-85 -143.64 -179.13 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 73.129999999999995 110.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 59' ' ' ILE . 15.3 mt -119.31 77.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 60.229999999999997 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.9 mp0 -49.66 159.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 71.219999999999999 110.342 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLY . 27.9 tt0 -44.51 -44.78 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -58.88 -38.84 79.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.340000000000003 110.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' GLU . 18.6 mt-10 -65.65 -40.48 92.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 98' ' ' ILE . 20.4 mt -52.0 -48.01 64.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.682 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -60.23 -22.22 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.329 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 mt -93.52 27.41 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.254 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 25' ' ' PHE . 59.9 t80 -74.88 -0.46 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.019999999999996 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.3 mt -105.33 -27.03 11.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.57 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 79.3 mt-30 -78.75 1.59 22.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 7.7 p-10 -79.35 -48.48 13.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 73.5 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 95.6 m-85 -86.23 14.7 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 60.219999999999999 110.999 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 8.2 ttmt -176.86 139.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 64.049999999999997 109.303 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.721 ' HB2' ' HA ' ' A' ' 0' ' ' SER . . . -88.88 14.11 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 62.32 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.41 28.63 1.93 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 111.025 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -81.09 -174.37 4.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 52.109999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HG3' HD12 ' A' ' 68' ' ' LEU . 12.4 ptt180 -105.57 -170.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 110.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 65' ' ' LYS . . . -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 62.509999999999998 109.255 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.4 mm? -69.41 151.59 45.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 109.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 147.36 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 109.983 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.58 -33.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -78.69 -52.75 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.010000000000005 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 92.3 mt-10 -46.09 -44.87 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 71.230000000000004 110.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 88.4 m -69.93 -27.21 64.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 72.450000000000003 110.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ALA . 11.2 mtmt -71.49 -44.88 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.294 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.09 -46.58 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 53.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CE1' ' CE ' ' A' ' 106' ' ' MET . 6.4 t80 -70.15 -13.14 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' THR . 18.9 tp -84.1 -62.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -63.98 -29.78 70.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.44 -29.46 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.25 109.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.5 -68.32 0.66 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 111.042 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.584 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.8 t0 -56.24 105.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 72.540000000000006 109.24 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -74.56 -30.29 61.67 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.635 1.683 . . . . 74.299999999999997 110.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 14.9 p-10 -89.56 -10.92 44.32 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.883 -1.056 . . . . 61.439999999999998 109.956 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 44.19 55.83 5.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 63.109999999999999 110.999 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -93.22 -22.94 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.769 . . . . 52.539999999999999 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 123.64 -13.97 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 64.140000000000001 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -121.33 143.41 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 74.329999999999998 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 64' ' ' LEU . 2.6 mt -119.28 104.72 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.240000000000002 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -74.8 -163.67 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -82.7 -46.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 73.239999999999995 109.253 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -56.03 -28.5 57.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.5 109.301 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 mt-10 -91.64 -48.05 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 47.3 t80 -59.63 -25.48 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.5 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -87.87 -10.15 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 54.329999999999998 109.292 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -78.05 -54.01 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 71.530000000000001 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.558 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.6 ptm -51.88 -18.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 61.43 111.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 31' ' ' PHE . 1.3 pt -106.97 -34.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 74.319999999999993 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 51.2 tttt -71.57 -15.31 62.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 54.130000000000003 111.03 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.871 ' H2 ' ' N ' ' A' ' 73' ' ' ALA . 15.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.007 -0.368 . . . . 60.210000000000001 110.007 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmm -107.78 73.01 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 75.400000000000006 111.046 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.936 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.33 -34.71 16.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 73.299999999999997 109.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.2 m-85 -71.0 -6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.004 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.84 -14.83 37.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 53.409999999999997 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -49.08 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 110.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.94 -62.92 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 64.200000000000003 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD13 ' HB2' ' A' ' 34' ' ' CYS . 2.5 mt -110.24 174.55 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 63.530000000000001 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.24 132.82 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' THR . 52.5 m-20 -53.08 -38.02 62.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 64.109999999999999 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.2 87.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 52.140000000000001 109.284 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.92 -61.47 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 71.409999999999997 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 8.9 m -56.58 -34.79 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.209999999999994 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -50.78 -44.88 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.366 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.04 65.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 72.530000000000001 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.99 -21.19 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 74.109999999999999 109.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -30.92 22.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.420000000000002 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.95 -28.32 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 52.219999999999999 109.296 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 43.119999999999997 111.002 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -126.12 24.15 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.304 -0.999 . . . . 71.239999999999995 108.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -73.8 -22.74 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 62.25 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -84.57 139.87 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 53.210000000000001 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.42 139.54 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 109.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.75 18.47 56.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.977 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 p -111.77 -21.14 11.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 73.319999999999993 109.945 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 1.5 t80 -53.62 136.38 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 62.140000000000001 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 12.4 t0 -138.86 94.08 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 62.399999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 10.3 p80 -43.8 -56.69 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.624 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 10.7 ptmt -40.7 -47.72 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.540000000000006 109.313 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 7.2 mmpt? -66.05 -57.3 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 62.310000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 4.5 t80 -39.61 -63.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 9.0 m-85 -51.64 -35.54 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 73.019999999999996 111.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -77.47 -22.23 51.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 70.140000000000001 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.15 -61.88 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 61.020000000000003 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.859 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -61.85 -20.14 63.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.010000000000005 108.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.04 -10.32 60.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 34.119999999999997 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -40.21 -30.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.239999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.6 p -71.8 114.48 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 110.026 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.91 -16.35 60.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -54.8 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 72.319999999999993 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -97.92 138.07 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.998 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.664 HG22 ' HE3' ' A' ' 45' ' ' LYS . 2.8 m -53.38 -19.65 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 62.530000000000001 110.402 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -62.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.2 pt-20 -58.7 -43.18 89.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.705 HG13 HD11 ' A' ' 107' ' ' ILE . 56.1 t -40.47 -50.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 41' ' ' THR . 19.2 mttt -61.25 -52.57 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 109.299 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -57.67 -20.48 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.33 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.1 -37.91 18.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 54.43 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 9.0 t80 -66.26 -20.9 66.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.15 -5.86 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 12.0 mm -75.86 -53.68 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.200000000000003 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.67 -65.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 109.339 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -40.16 103.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -89.13 -15.12 34.61 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 123.634 1.683 . . . . 72.549999999999997 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.8 p-10 -118.52 -3.03 10.93 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.925 -1.036 . . . . 75.129999999999995 109.994 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 41.86 38.08 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 65.319999999999993 109.302 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.0 p -53.6 -20.11 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 72.430000000000007 109.963 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.99 -25.86 6.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 64.400000000000006 111.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 39.5 m-85 -146.11 164.54 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.140000000000001 111.008 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.525 HG13 ' CE2' ' A' ' 48' ' ' PHE . 57.1 mt -98.6 85.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.219999999999999 109.301 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -57.49 160.45 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 73.129999999999995 110.337 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLY . 14.0 tm-20 -47.17 -49.79 21.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 63.200000000000003 110.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -28.64 61.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 71.510000000000005 110.269 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -83.0 -32.51 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.5 110.346 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.919 HD21 HD12 ' A' ' 98' ' ' ILE . 10.0 mt -55.34 -50.75 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 65.030000000000001 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -58.46 -17.25 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.361 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.55 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -94.75 27.46 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.583 ' CG ' ' CE2' ' A' ' 86' ' ' PHE . 25.2 t80 -74.08 -1.16 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.7 mt -118.02 -7.8 10.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 75.030000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.55 ' CD ' HD22 ' A' ' 66' ' ' LEU . 28.4 mt-30 -88.05 1.56 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.75 ' ND2' ' CD1' ' A' ' 71' ' ' PHE . 3.6 p-10 -85.15 -45.78 11.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 52.3 m-85 -81.72 4.34 22.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 111.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 4.3 tppp? -175.17 151.45 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 72.349999999999994 109.259 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.871 ' N ' ' H2 ' ' A' ' 0' ' ' SER . . . -101.39 22.83 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.07 18.82 1.21 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 74.5 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.5 140.61 29.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 55.420000000000002 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 25' ' ' PHE . 13.8 ptt180 -50.41 -178.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.439999999999998 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.99 122.68 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.257 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.73 134.24 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.129999999999995 109.301 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.5 t -60.62 167.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 109.999 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -19.31 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.312 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.16 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 55.43 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -46.47 -43.63 16.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 64.129999999999995 110.258 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.46 HG23 ' HB3' ' A' ' 64' ' ' LEU . 20.7 m -66.15 -29.66 70.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.392 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ALA . 45.3 mttt -71.2 -41.67 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.89 -48.98 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CE2' ' CG ' ' A' ' 67' ' ' PHE . 8.1 t80 -66.23 -15.67 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 71.549999999999997 111.017 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 64' ' ' LEU . 62.3 tp -84.08 -56.92 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -72.0 -19.92 61.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -62.21 -39.92 94.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.340000000000003 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.39 -55.17 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 53.32 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 4.5 t0 -56.78 100.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 75.120000000000005 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -94.1 5.55 51.37 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.666 1.698 . . . . 71.129999999999995 110.04 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.79 4.98 8.79 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.938 -1.03 . . . . 72.109999999999999 109.979 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.19 69.99 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 31.440000000000001 111.013 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -111.77 6.97 20.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 75.349999999999994 109.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 72.85 2.51 57.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 63.32 111.025 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 58' ' ' PHE . 7.7 mtpt -133.92 157.11 46.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 63.5 109.341 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.919 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -127.91 105.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 61.140000000000001 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.15 -165.54 15.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.986 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.89 -37.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 74.439999999999998 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -23.88 65.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 13.5 mt-10 -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 40.1 t80 -68.98 -30.49 68.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.012 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.63 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.26 -7.54 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.120000000000005 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.09 -55.32 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.483 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.7 ptm -48.45 -22.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 72.25 111.022 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.705 HD11 HG13 ' A' ' 44' ' ' VAL . 4.0 pt -102.17 -40.88 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 29.1 ttpt -64.78 -15.39 61.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.140000000000001 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 110.997 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.476 ' H1 ' ' HB2' ' A' ' 73' ' ' ALA . 14.1 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.983 -0.377 . . . . 60.229999999999997 109.983 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -65.46 73.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 62.200000000000003 110.982 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.12 -43.05 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -53.72 -19.0 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.400000000000006 111.013 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.73 -20.81 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.340000000000003 109.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.65 -49.7 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 70.129999999999995 109.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.21 -62.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 74.010000000000005 109.299 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 3' ' ' PHE . 4.7 mt -99.64 -176.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 25.4 tptt -90.06 121.29 32.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.140000000000001 109.351 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -46.71 -38.59 10.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.42 81.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 54.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 23.9 mt-10 -65.73 -58.19 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 74.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 m -61.19 -37.63 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 109.296 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.2 m -50.72 -53.79 28.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 62.420000000000002 110.386 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -27.82 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 75.299999999999997 109.304 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -72.65 -29.75 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 65.239999999999995 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 71' ' ' PHE . 9.0 mt -77.58 -46.24 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 73.140000000000001 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -70.76 -32.14 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.68 -12.77 35.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.83 31.03 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 62.149999999999999 108.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -65.25 -16.05 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 61.020000000000003 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.605 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -97.18 170.67 8.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.88 137.64 41.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 51.140000000000001 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.8 -8.88 64.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 42.409999999999997 110.993 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.605 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 44.6 p -102.85 17.67 23.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.329999999999998 110.036 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.5 t80 -92.59 128.74 38.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.409999999999997 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.7 t0 -136.17 95.09 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.501 ' NE2' ' CB ' ' A' ' 89' ' ' ALA . 46.3 p-80 -40.05 -58.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 109.652 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -40.53 -51.48 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 24.6 mmtp -61.98 -60.56 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 70.409999999999997 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -39.22 -63.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 71.209999999999994 111.02 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 45.4 m-85 -58.76 -26.9 64.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 65.140000000000001 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.1 mttt -79.76 -21.4 44.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.150000000000006 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.33 -61.9 1.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 62.32 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -62.62 -19.39 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 63.200000000000003 108.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 97.37 -6.88 63.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.137 . . . . 74.049999999999997 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 7' ' ' LEU . 9.7 mt -40.49 -29.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 53.420000000000002 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 35' ' ' GLY . 2.5 p -66.35 -52.57 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 63.140000000000001 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.8 2.42 88.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 61.399999999999999 111.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -69.01 177.72 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -87.91 137.91 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.25 109.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -56.69 -17.07 7.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 110.394 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -68.97 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.7 pt-20 -54.46 -39.92 67.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 110.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 79.2 t -42.9 -49.74 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.319999999999993 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -55.94 -41.7 75.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 75.25 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.0 mtpt -68.11 -30.63 69.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 63.130000000000003 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.494 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -70.1 -40.44 74.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 48' ' ' PHE . 2.8 t80 -55.79 -22.84 26.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.57 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 73.439999999999998 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.2 mm -51.64 -55.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.299999999999997 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -66.59 -70.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.239999999999995 109.309 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.84 103.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -77.26 -12.98 60.01 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.634 1.683 . . . . 73.219999999999999 110.315 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.498 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 2.5 p30 -119.14 -34.13 3.95 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.891 -1.052 . . . . 74.310000000000002 109.985 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CD ' ' C ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 67.13 56.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 61.32 109.32 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -71.62 -22.9 61.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 110.008 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.25 -26.65 3.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 60.509999999999998 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.78 158.08 44.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 64.319999999999993 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 63' ' ' GLU . 32.6 mt -95.86 82.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 109.276 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 156.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.25 110.298 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -48.89 -25.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 63.43 110.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.52 -39.79 81.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 110.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 59' ' ' ILE . 5.4 mt-10 -73.44 -39.13 65.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 87' ' ' LEU . 12.2 mt -48.96 -46.37 43.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 61.420000000000002 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.9 -27.34 67.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 64.400000000000006 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 11.5 mt -92.89 26.73 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -70.68 -4.9 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.349999999999994 110.964 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.1 mt -103.8 -21.06 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 72.310000000000002 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -79.44 1.69 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 110.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.65 ' HB3' HG23 ' A' ' 51' ' ' ILE . 10.1 p-10 -81.33 -46.41 14.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CB ' HD11 ' A' ' 16' ' ' LEU . 21.7 m-85 -83.0 8.92 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 62.43 110.983 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 10.2 tttm -177.78 143.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 63.539999999999999 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HB2' ' H1 ' ' A' ' 0' ' ' SER . . . -92.77 31.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.94 27.46 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.99 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -83.93 172.24 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 62.329999999999998 109.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.697 ' HG3' HD12 ' A' ' 68' ' ' LEU . 8.3 ptt180 -76.75 -172.81 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 61.140000000000001 110.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.41 122.52 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm? -48.38 166.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -100.53 173.69 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.310000000000002 109.979 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -58.3 -18.28 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.328 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.13 -66.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -46.81 -54.53 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 110.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -56.15 -33.53 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 110.403 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 10.8 mtpt -68.95 -41.22 78.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.25 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.25 -35.25 77.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.317 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 t80 -84.47 -17.99 37.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.999 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 64' ' ' LEU . 58.3 tp -81.54 -49.99 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -21.52 63.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . . . -60.58 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.261 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 -64.43 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 3.8 t0 -45.01 121.49 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 64.510000000000005 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.43 -54.32 3.43 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.629 1.681 . . . . 73.420000000000002 110.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.07 10.76 11.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.903 -1.046 . . . . 63.350000000000001 110.023 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 38.15 69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 33.229999999999997 111.024 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -103.79 15.38 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.530000000000001 109.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.23 13.32 76.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 54.100000000000001 111.048 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -143.93 151.87 40.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.129999999999995 109.264 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 64' ' ' LEU . 3.5 mt -126.07 114.93 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.519999999999996 109.308 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.83 176.07 54.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 111.012 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -70.39 -38.27 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 74.129999999999995 109.306 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -22.5 66.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.74 -29.6 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 72.319999999999993 110.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -80.07 -26.78 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.595 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -85.89 -15.1 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 65.540000000000006 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.52 -51.07 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 62.340000000000003 109.315 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.51 -18.18 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 27.3 pt -101.03 -45.51 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 70.299999999999997 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.41 60.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 63.039999999999999 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 63.039999999999999 111.014 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.005 -0.368 . . . . 74.040000000000006 110.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.742 ' HG3' ' HB2' ' A' ' 4' ' ' ALA . 2.8 ptm -134.33 -178.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 110.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 52.210000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.987 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.0 m-85 -58.73 -15.07 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.430000000000007 110.985 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.742 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -53.71 -20.75 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -94.12 -43.93 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 63.119999999999997 109.971 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.62 -62.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 70.310000000000002 109.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.27 -176.56 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 123.92 33.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.316 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -62.47 -15.87 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.239999999999995 109.299 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.11 -19.16 32.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 45.240000000000002 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' THR . 46.5 mt-10 -87.79 -65.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.430000000000007 110.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.657 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 m -44.34 -28.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -45.6 -51.03 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 73.510000000000005 110.379 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.86 -31.45 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 64.340000000000003 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.758 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -74.38 -24.18 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.58 -33.69 23.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.77 -17.46 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 72.099999999999994 109.268 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -70.39 -5.04 53.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 71.530000000000001 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 p -137.67 22.26 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 43.340000000000003 108.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -56.97 -20.18 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 63.210000000000001 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 147.88 22.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.5 155.29 31.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.357 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.83 23.14 2.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 111.039 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.2 19.42 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.340000000000003 110.031 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 16.6 t80 -85.27 136.37 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 110.991 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 70.8 m-20 -126.76 111.65 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 63.420000000000002 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 1.8 p80 -66.39 -58.15 5.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.581 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.6 ' HD3' ' HZ2' ' A' ' 29' ' ' LYS . 13.7 ptmt -44.12 -48.75 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 73.129999999999995 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.6 ' HZ2' ' HD3' ' A' ' 28' ' ' LYS . 1.5 mptt -61.47 -51.83 67.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 71.239999999999995 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.758 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 1.6 t80 -44.68 -64.2 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.983 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.7 m-85 -47.84 -28.34 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 111.012 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLY . 4.3 tmtt? -75.16 -61.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 55.030000000000001 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.11 23.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.239999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.657 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 m -87.92 -24.79 23.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 73.340000000000003 108.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . 98.21 -19.28 55.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 63.109999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt -45.56 -56.0 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 73.5 109.249 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t -58.23 102.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 71.019999999999996 110.048 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.67 -26.71 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 51.539999999999999 110.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.52 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 55.530000000000001 109.298 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -89.02 138.18 31.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 45.25 109.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -58.16 -16.02 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.48 -60.69 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 65.430000000000007 109.318 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.8 pt-20 -58.7 -39.31 80.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 110.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG11 ' CB ' ' A' ' 104' ' ' ALA . 36.6 t -40.33 -48.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.030000000000001 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 43.5 mttt -60.03 -47.3 86.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 72.420000000000002 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.3 mtpt -64.0 -20.61 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.326 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -81.45 -33.92 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 50.439999999999998 109.272 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 59' ' ' ILE . 28.7 t80 -67.59 -20.71 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.040000000000006 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.888 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -85.78 -3.57 58.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 70.329999999999998 109.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.987 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.4 mm -83.37 -54.28 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 53.130000000000003 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.1 mt -65.36 -45.51 93.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 75.409999999999997 109.356 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' CZ ' ' A' ' 48' ' ' PHE . 2.7 m-20 -66.35 103.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.430000000000007 109.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -97.23 -12.84 22.49 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.657 1.694 . . . . 62.299999999999997 110.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.5 p30 -104.61 -10.65 17.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.901 -1.047 . . . . 71.219999999999999 109.992 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.888 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 3.8 mmmt 40.03 52.66 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 71.120000000000005 109.322 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -31.06 51.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 53.310000000000002 110.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.09 -55.65 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 64.019999999999996 110.949 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -126.73 138.84 53.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 73.099999999999994 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 48' ' ' PHE . 86.8 mt -75.74 91.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -60.59 161.39 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 70.219999999999999 110.281 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 64' ' ' LEU . 84.1 tt0 -52.35 -25.99 11.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 110.279 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -73.88 -31.28 63.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 66' ' ' LEU . 45.1 mt-10 -88.58 -12.93 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 72.109999999999999 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 98' ' ' ILE . 8.8 mt -66.46 -48.22 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 53.520000000000003 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -61.74 -14.59 33.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 109.282 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 65' ' ' LYS . 7.6 mt -92.71 27.45 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 87.6 t80 -76.88 1.82 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 72.310000000000002 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 30' ' ' PHE . 33.6 mt -117.98 -7.82 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 80.6 mt-30 -88.96 1.68 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.299999999999997 110.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.751 ' ND2' ' CD1' ' A' ' 71' ' ' PHE . 3.5 p-10 -84.81 -45.63 12.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 73.25 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.751 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 52.3 m-85 -81.57 5.57 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 63.030000000000001 111.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 2.3 ttmt 179.51 158.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.57 25.49 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.92 13.83 2.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 53.140000000000001 111.011 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.49 141.99 28.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 64.010000000000005 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.86 -173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 73.019999999999996 110.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -128.28 126.68 41.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 109.293 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.638 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.8 mm? -46.94 145.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 81' ' ' ALA . 26.8 t -65.78 149.84 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 110.034 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.67 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 75.230000000000004 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -81.68 -56.26 4.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.69 -26.05 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 64' ' ' LEU . 8.0 m -87.22 -28.97 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.230000000000004 110.41 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' ALA . 25.1 mttp -57.95 -49.32 77.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.120000000000005 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.905 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.13 -16.3 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 70.450000000000003 109.29 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -84.95 -19.98 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 53.509999999999998 111.005 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 98' ' ' ILE . 57.4 tp -83.75 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 62.219999999999999 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -57.68 -18.94 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.905 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.94 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -87.11 -49.0 4.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 71.219999999999999 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' LEU . 24.8 t0 -60.21 84.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -72.62 -54.65 8.51 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.657 1.694 . . . . 42.539999999999999 110.026 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 6.9 p30 -60.47 -21.24 62.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.923 -1.037 . . . . 50.420000000000002 109.996 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 48.12 70.25 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 60.130000000000003 110.99 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.3 -17.74 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 73.329999999999998 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.441 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 121.73 5.36 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 111.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 5.8 mtmm -150.82 -179.47 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 62.520000000000003 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 64' ' ' LEU . 2.2 mt -135.3 107.07 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.150000000000006 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.22 -162.42 35.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.569 1.168 . . . . 41.329999999999998 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.488 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.44 -51.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 73.200000000000003 109.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.1 -27.88 15.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.305 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 32.0 mt-10 -88.31 -45.28 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 110.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' MET . 46.5 t80 -59.22 -29.64 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 110.958 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.76 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.63 -7.19 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.310000000000002 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -82.17 -54.63 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.467 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 3.6 ptm -52.08 -22.96 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 52.310000000000002 111.044 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 104' ' ' ALA . 20.2 pt -96.55 -43.65 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.51 -18.0 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 70.109999999999999 111.013 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 2' ' ' ALA . 11.1 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.051 -0.351 . . . . 73.219999999999999 110.051 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptp -43.73 95.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 70.329999999999998 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -79.43 -45.22 19.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 62.229999999999997 109.304 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.125 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.5 m-85 -52.84 -19.61 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 110.957 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.571 ' HB1' ' OD2' ' A' ' 9' ' ' ASP . . . -53.16 -21.26 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.109999999999999 109.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -98.62 -45.22 6.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 71.530000000000001 109.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.66 -62.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.261 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 34' ' ' CYS . 2.4 mt -105.87 -177.23 3.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -85.92 128.92 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 74.420000000000002 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.571 ' OD2' ' HB1' ' A' ' 4' ' ' ALA . 2.0 m-20 -55.14 -33.01 62.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 62.229999999999997 109.343 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.05 -23.55 55.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.1 mt-10 -79.04 -51.17 9.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 70.329999999999998 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.649 HG12 ' SG ' ' A' ' 34' ' ' CYS . 12.2 m -68.31 -33.09 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 70.329999999999998 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -54.58 -50.6 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.38 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -19.63 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.030000000000001 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -86.72 -28.91 22.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 71' ' ' PHE . 8.7 mt -75.06 -34.05 61.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 61.329999999999998 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.35 -20.19 32.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 109.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -8.2 48.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.011 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 3.9 m -136.56 27.91 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.281 -1.007 . . . . 72.349999999999994 108.281 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -55.75 -45.21 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 74.109999999999999 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.02 -174.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 65.430000000000007 109.272 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.93 133.48 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 63.240000000000002 109.254 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.13 -14.67 52.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 64.540000000000006 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -6.93 57.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 55.350000000000001 110.039 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.2 t80 -52.37 125.05 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 65.319999999999993 111.001 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -129.71 82.15 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.439999999999998 109.338 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 86' ' ' PHE . 11.0 p-80 -40.04 -62.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.540000000000006 109.563 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 10.7 pttp -40.79 -52.54 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 28.4 mmtp -56.16 -45.34 79.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 t80 -53.23 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 74.200000000000003 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 85.1 m-85 -58.53 -29.03 66.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 71.5 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.12 -19.22 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 72.030000000000001 109.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.13 -57.8 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 7' ' ' LEU . 7.8 t -65.32 -26.9 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 108.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 103.99 -5.57 46.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 71.239999999999995 111.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 6.8 mt -45.57 -28.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 70.329999999999998 109.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 p -66.0 -43.44 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 71.200000000000003 109.984 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -93.38 6.58 75.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 54.049999999999997 110.981 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 19.4 mmtt -73.38 -178.82 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 72.430000000000007 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 67.1 m -97.52 137.86 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.109999999999999 109.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.032 HG22 ' NZ ' ' A' ' 45' ' ' LYS . 18.4 m -53.57 -19.52 3.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 52.119999999999997 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -63.27 -60.07 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 70.409999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 47' ' ' ALA . 5.9 pt-20 -61.99 -38.28 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 43.140000000000001 110.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.691 HG11 ' CB ' ' A' ' 104' ' ' ALA . 70.9 t -42.66 -48.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.032 ' NZ ' HG22 ' A' ' 41' ' ' THR . 22.5 mttp -58.03 -46.38 85.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -67.82 -20.72 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.25 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.95 -33.02 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 53.030000000000001 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CE1' HG13 ' A' ' 59' ' ' ILE . 39.5 t80 -62.79 -21.87 66.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 74.310000000000002 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -18.16 35.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 71.400000000000006 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.125 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.3 mm -64.92 -48.83 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -76.6 -66.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 71.340000000000003 109.268 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -40.01 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 63.340000000000003 109.271 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.4 mt-30 -94.26 -50.9 5.05 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.62 1.676 . . . . 74.129999999999995 110.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 13.2 p30 -62.47 -28.47 69.85 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.888 -1.054 . . . . 75.030000000000001 109.994 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 10.3 mmmm 69.28 23.92 6.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.304 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.41 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 64.049999999999997 109.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.24 -23.55 35.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 111.012 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.61 120.77 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 63.409999999999997 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.954 HG23 ' HB3' ' A' ' 63' ' ' GLU . 64.4 mt -70.34 92.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 65.329999999999998 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' GLU . 11.2 mt-10 -65.01 160.58 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 63.32 110.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HG3' HD22 ' A' ' 87' ' ' LEU . 17.3 tt0 -45.09 -33.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.8 -39.1 84.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 110.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.954 ' HB3' HG23 ' A' ' 59' ' ' ILE . 9.6 mt-10 -68.2 -40.11 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 64.109999999999999 110.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 87' ' ' LEU . 35.2 mt -54.58 -48.28 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 63.340000000000003 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 83' ' ' THR . 13.6 ttmt -60.67 -16.04 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.239999999999995 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.8 27.17 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 70.120000000000005 109.27 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 33.5 t80 -71.33 -4.13 24.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 62.25 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -103.95 -21.96 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 55.0 mt-30 -78.61 2.01 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 51.409999999999997 110.292 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.615 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.4 p-10 -81.3 -48.16 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 30' ' ' PHE . 22.3 m-85 -80.71 6.53 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.450000000000003 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 18.9 tptt -175.36 143.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 62.43 109.3 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.9 23.03 3.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.73 19.42 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 63.25 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.82 167.45 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 50.340000000000003 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.7 ptt180 -79.84 -170.65 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 64.25 110.317 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 65' ' ' LYS . . . -126.09 133.85 51.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 25' ' ' PHE . 2.1 mm? -55.97 163.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.229999999999997 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 33.2 t -76.91 158.74 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -53.5 -23.22 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.27 -56.79 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.039999999999999 109.33 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 5.7 mt-10 -43.76 -48.3 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.519999999999996 110.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 59.7 m -61.03 -33.6 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 74.420000000000002 110.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.842 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.65 -41.84 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 62.530000000000001 109.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.15 -32.44 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 62.549999999999997 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.652 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 5.6 t80 -89.15 -13.6 38.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.340000000000003 111.058 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.842 HD23 ' CE ' ' A' ' 84' ' ' LYS . 25.8 tp -84.21 -45.1 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 71.200000000000003 109.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.85 -33.76 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 54.100000000000001 109.246 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.6 -47.7 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 63.140000000000001 109.316 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.92 -55.82 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.089 . . . . 64.329999999999998 110.998 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.56 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.1 t0 -70.94 113.81 8.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 61.310000000000002 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -100.63 -31.88 11.02 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.010000000000005 109.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 13.3 p-10 -75.16 -12.59 60.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.891 -1.052 . . . . 62.340000000000003 109.976 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 49.36 58.9 7.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 110.994 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -98.78 -23.11 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 53.329999999999998 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.58 -5.97 18.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 54.32 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -134.41 165.03 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 65.109999999999999 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.56 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.3 mt -128.98 108.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.69 -168.91 16.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 62.140000000000001 110.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.56 -51.95 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 72.430000000000007 109.339 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -50.43 -28.39 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.318 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.1 mt-10 -87.16 -44.33 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 28.2 t80 -58.84 -31.51 68.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.691 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.7 -5.64 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 55.020000000000003 109.253 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.67 -54.37 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 32.100000000000001 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.556 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.29 -21.96 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 51.119999999999997 111.032 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 104' ' ' ALA . 17.5 pt -96.96 -43.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.329999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -63.33 -20.62 65.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 32.509999999999998 110.979 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.675 ' N ' ' HB2' ' A' ' 73' ' ' ALA . 15.2 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.979 -0.378 . . . . 70.340000000000003 109.979 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp -61.17 85.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 55.539999999999999 111.031 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.989 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -74.88 -43.21 55.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 71.150000000000006 109.312 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.118 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 m-85 -59.27 -14.84 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 111.024 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.56 -22.37 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 35.509999999999998 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 m -101.18 -39.06 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG12 ' HG ' ' A' ' 7' ' ' LEU . 97.5 t -63.72 -62.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 53.340000000000003 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 34' ' ' CYS . 7.7 mt -110.39 178.22 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.253 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 tppp? -79.87 119.27 22.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -49.51 -29.04 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.200000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.28 55.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 74.010000000000005 109.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mm-40 -70.58 -60.59 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 74.400000000000006 110.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m -53.8 -39.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.4 -52.44 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.520000000000003 110.407 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -25.17 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 73.400000000000006 109.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -76.43 -22.08 55.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 53.109999999999999 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.574 HD23 HD22 ' A' ' 68' ' ' LEU . 9.1 mt -85.16 -42.0 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.262 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.92 -15.72 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 63.420000000000002 109.285 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.8 -23.81 63.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' ' CD1' ' A' ' 25' ' ' PHE . 8.9 t -107.98 -21.48 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.237 -1.023 . . . . 65.200000000000003 108.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -40.39 -29.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 54.109999999999999 109.263 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -69.65 95.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.71 139.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 51.140000000000001 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.28 20.71 58.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 34.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.649 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.2 t -130.22 13.07 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 65.409999999999997 109.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 4.5 t80 -63.17 114.15 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.7 m-20 -113.59 74.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.322 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG3' ' A' ' 28' ' ' LYS . 18.8 p80 -40.12 -50.92 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 65.349999999999994 109.627 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mttm -51.45 -48.68 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 4.6 mmpt? -60.17 -58.44 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 71' ' ' PHE . 1.1 t80 -38.35 -63.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 110.976 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 107' ' ' ILE . 12.9 m-85 -54.5 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 71.439999999999998 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -71.11 -21.91 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 61.340000000000003 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.56 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.949 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.1 p -66.5 -20.39 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 108.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.58 -14.7 59.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 111.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 ' SG ' ' A' ' 34' ' ' CYS . 7.7 mt -40.35 -30.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 75.019999999999996 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 35' ' ' GLY . 7.7 t -68.53 94.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 109.99 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.7 31.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 18.4 mmtt -55.19 -178.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 70.439999999999998 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.848 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -78.17 141.23 38.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.982 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -61.04 -19.46 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 110.383 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -73.32 -60.66 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.030000000000001 109.289 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.6 pt-20 -59.33 -43.76 92.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 53.409999999999997 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 40' ' ' SER . 71.1 t -44.47 -40.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 20.9 mttm -68.73 -41.38 79.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 73.530000000000001 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.8 mmmt -66.19 -21.38 66.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.1 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 63.210000000000001 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 5.6 t80 -66.19 -20.76 66.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 72.239999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.09 -6.89 58.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 72.109999999999999 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.118 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.5 mm -74.04 -52.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 55.420000000000002 109.262 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.6 -52.61 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 74.319999999999993 109.325 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -40.0 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 62.25 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.2 mt-30 -94.02 -25.92 17.01 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.64 1.686 . . . . 71.409999999999997 110.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 3.0 p30 -112.08 -9.39 13.97 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.889 -1.053 . . . . 75.349999999999994 109.996 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 54.8 54.94 8.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.309 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -78.23 -5.58 52.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.109999999999999 110.004 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 97.2 -18.94 56.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 61.020000000000003 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 9.0 m-85 -142.97 -175.87 4.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 71.040000000000006 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 59' ' ' ILE . 76.6 mt -129.31 76.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.019999999999996 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.5 mp0 -54.57 156.54 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 64.129999999999995 110.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 64' ' ' LEU . 21.6 tt0 -46.6 -34.9 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 1.2 mp0 -63.17 -37.89 89.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLU . 21.7 mt-10 -83.37 -26.47 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.140000000000001 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 98' ' ' ILE . 11.6 mt -52.71 -51.77 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.873 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 6.3 ptpp? -57.03 -18.31 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 62.229999999999997 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.2 mt -92.58 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 72.109999999999999 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 76.6 t80 -80.57 6.57 12.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 75.25 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.5 mt -118.06 -7.92 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 62.25 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 21.6 mt-30 -92.13 1.25 57.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.010000000000005 110.262 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.741 ' ND2' ' CD2' ' A' ' 71' ' ' PHE . 3.4 p-10 -83.63 -45.33 13.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.229999999999997 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.9 m-85 -82.67 5.56 20.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.519999999999996 111.031 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' GLN . 16.2 tptp -175.12 148.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB2' ' N ' ' A' ' 0' ' ' SER . . . -100.48 65.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 61.420000000000002 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 175.73 -33.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 63.130000000000003 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.47 135.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 64.230000000000004 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptt85 -56.93 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.873 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -120.47 137.15 54.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 73.209999999999994 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.611 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.8 mm? -45.1 148.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 54.439999999999998 109.277 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.439 ' CB ' ' OE2' ' A' ' 82' ' ' GLU . 35.3 t -61.97 -173.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 75.450000000000003 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' N ' ' OG ' ' A' ' 79' ' ' SER . 7.7 p-10 -73.0 -28.68 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 65.010000000000005 109.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 109.28 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 29.8 mt-10 -50.91 -51.42 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.349999999999994 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -59.8 -27.5 66.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 60.200000000000003 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -73.85 -41.95 61.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 72.439999999999998 109.344 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.37 -43.9 96.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.622 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -74.03 -13.63 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.7 tp -83.2 -64.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 72.010000000000005 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -56.49 -39.79 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -45.36 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 35.43 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -76.36 -63.15 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 4.4 t0 -49.31 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 61.229999999999997 109.269 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -89.83 2.73 54.6 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.63 1.681 . . . . 54.310000000000002 109.994 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -123.67 -1.06 8.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.884 -1.055 . . . . 61.140000000000001 109.991 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.37 70.09 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 53.240000000000002 110.973 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.83 -22.99 13.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 63.539999999999999 109.251 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 116.03 8.55 13.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 21.1 mtmt -150.51 171.48 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 70.010000000000005 109.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.815 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -133.41 104.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.81 -165.36 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.11 -38.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 73.040000000000006 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -18.71 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 91' ' ' ASP . 30.1 mt-10 -99.13 -41.6 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 51.9 t80 -72.08 -27.63 62.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.409999999999997 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.85 -11.03 48.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.4 -54.02 6.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 50.409999999999997 109.309 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.581 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -50.67 -19.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 42.530000000000001 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.696 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.3 pt -106.48 -36.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 62.310000000000002 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 44.3 tttt -71.28 -13.41 61.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.519 1.137 . . . . 60.039999999999999 110.98 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.993 -0.373 . . . . 73.299999999999997 109.993 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp -89.68 46.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 74.530000000000001 110.973 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.974 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -74.69 -62.02 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.240000000000002 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.072 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.6 m-85 -53.2 -19.67 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -95.76 -41.49 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.63 -62.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 60.210000000000001 109.305 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.816 HD13 ' HB2' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -108.82 -178.85 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 72.150000000000006 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -89.57 127.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.420000000000002 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -52.26 -26.23 11.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.61 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.319999999999993 109.332 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LYS . 34.9 mt-10 -71.99 -56.91 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -59.76 -36.14 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 71.219999999999999 109.276 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -53.56 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 110.41 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 31.43 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.4 -19.3 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 63.229999999999997 109.348 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -86.63 -24.86 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 72.219999999999999 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -90.68 -19.4 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.33 -12.79 81.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 51.439999999999998 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -135.45 29.09 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.331 -0.989 . . . . 54.509999999999998 108.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -64.59 -46.44 82.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 63.210000000000001 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 152.4 44.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 63.439999999999998 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.22 151.98 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.129999999999995 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.39 50.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 65.109999999999999 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 p -133.06 17.02 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 0.8 . . . . 62.509999999999998 109.968 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 9.1 t80 -92.54 142.95 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -135.49 89.44 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.276 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 24.6 p80 -39.8 -57.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.631 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 7.5 pttt -44.77 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.109999999999999 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -47.0 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 53.25 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 15' ' ' ALA . 9.6 t80 -38.36 -63.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 72.329999999999998 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 57.4 m-85 -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' LYS . 8.3 ttpt -73.52 -27.01 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -70.39 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.816 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -64.43 -19.51 65.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 60.409999999999997 108.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 96.23 -7.96 66.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 111.011 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' ' 34' ' ' CYS . 6.3 mt -40.05 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 73.299999999999997 109.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' GLY . 59.1 m -69.29 -52.9 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -81.58 -0.03 88.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.1 mmtt -72.54 178.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 72.040000000000006 109.31 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 44' ' ' VAL . 28.7 m -90.27 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 61.140000000000001 109.994 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -54.89 -18.51 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 40.109999999999999 110.381 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -67.06 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.209999999999994 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -57.27 -38.81 74.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 71.430000000000007 110.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 107' ' ' ILE . 52.0 t -40.9 -45.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 43.1 mttt -59.96 -47.58 85.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' GLU . 3.9 mtmt -67.66 -20.42 65.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.18 -39.35 33.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 53.030000000000001 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.7 t80 -66.78 -25.56 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.319999999999993 111.06 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.75 -4.68 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 53.130000000000003 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 ' CD2' ' A' ' 3' ' ' PHE . 9.9 mm -79.1 -47.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 70.140000000000001 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -71.14 -51.29 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.299999999999997 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.37 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.332 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -86.98 -59.32 2.29 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.642 1.686 . . . . 75.420000000000002 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.481 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -74.49 1.94 10.73 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.923 -1.036 . . . . 55.020000000000003 110.023 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp 51.23 57.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.420000000000002 109.258 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -91.17 -9.01 46.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 110.015 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.13 -9.3 64.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 62.310000000000002 111.047 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.73 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 72.239999999999995 110.964 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 HG13 ' CE2' ' A' ' 48' ' ' PHE . 65.8 mt -130.37 92.74 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.284 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.24 168.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.420000000000002 110.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 64' ' ' LEU . 10.6 tm-20 -58.03 -40.53 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.51 -37.27 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 53.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 54' ' ' ASP . 33.1 mt-10 -74.54 -28.44 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.239999999999995 110.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.804 HD21 HD12 ' A' ' 98' ' ' ILE . 10.5 mt -54.09 -49.09 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 109.247 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 5.8 ptmt -57.64 -17.79 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 ' NE2' ' A' ' 69' ' ' GLN . 48.8 mt -92.57 27.94 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 50.3 t80 -73.0 -1.13 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.7 mt -115.96 -8.46 11.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 72.140000000000001 109.249 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.646 ' NE2' HD22 ' A' ' 66' ' ' LEU . 44.5 mt-30 -84.95 -1.52 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.617 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 10.6 p30 -85.48 -41.99 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 73.439999999999998 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.753 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 83.1 m-85 -84.55 6.24 24.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.519999999999996 110.989 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -175.16 150.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.150000000000006 109.282 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.81 25.88 6.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 51.420000000000002 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.0 25.89 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 43.32 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.77 -174.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 72.109999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.28 160.78 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 63.299999999999997 110.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -105.3 144.91 31.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 51.299999999999997 109.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 2.2 mm? -73.64 148.21 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 74.319999999999993 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t -64.13 178.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 72.299999999999997 110.023 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 21.5 m-20 -69.73 -35.14 74.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.8 60.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 75.140000000000001 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.57 -48.28 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.8 m -69.63 -18.55 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 61.310000000000002 110.414 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -67.71 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 73.239999999999995 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.82 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.96 -22.2 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 63.229999999999997 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.67 -18.26 60.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 111.024 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 38.5 tp -80.8 -64.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 109.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -63.99 -18.87 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 71.299999999999997 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.45 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 64.540000000000006 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -100.75 -41.22 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 41.32 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 20.6 t0 -62.72 80.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -67.82 -54.62 17.64 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.593 1.663 . . . . 73.430000000000007 109.996 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -67.18 -13.9 62.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.934 -1.031 . . . . 72.219999999999999 109.985 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.49 70.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.09 . . . . 65.400000000000006 111.014 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -13.4 23.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.010000000000005 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' LYS . . . 119.91 7.94 9.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 53.299999999999997 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 51.9 mtmt -152.91 178.66 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 70.140000000000001 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.804 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -136.26 105.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.27 -162.46 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 111.049 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.505 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.24 -49.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 50.109999999999999 109.29 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -54.15 -28.28 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.318 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 37.2 mt-10 -88.86 -45.96 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.200000000000003 110.232 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 43.6 t80 -59.41 -29.14 67.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -6.94 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.349999999999994 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -81.74 -54.85 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 70.430000000000007 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 4.0 ptm -51.36 -26.27 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.409999999999997 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 44' ' ' VAL . 18.5 pt -92.98 -43.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 65.099999999999994 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.24 -16.14 63.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 62.219999999999999 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 75.5 111.023 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.016 -0.364 . . . . 53.420000000000002 110.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtt 50.86 37.57 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 64.049999999999997 111.014 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.999 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -84.28 -29.38 26.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 44.229999999999997 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.091 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.69 -5.59 30.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.952 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.07 -18.01 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -96.48 -47.64 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.959 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.88 -62.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' CD2' ' CE ' ' A' ' 39' ' ' LYS . 6.2 mt -112.79 171.03 7.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 65.420000000000002 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.6 ttpt -86.98 121.15 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 71.219999999999999 109.336 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 12' ' ' VAL . 22.2 t0 -48.34 -41.42 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 71.340000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.29 73.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 53.530000000000001 109.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 27.8 mm-40 -75.67 -63.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 110.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 26.9 m -54.0 -29.46 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 54.229999999999997 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -49.07 37.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 61.219999999999999 110.421 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.91 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . . . -80.7 -33.16 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 52.109999999999999 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.78 -33.84 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.25 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.29 -18.9 54.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 64.120000000000005 109.308 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.91 -8.5 73.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 72.340000000000003 110.982 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.17 26.07 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.326 -0.99 . . . . 64.420000000000002 108.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 -16.88 53.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.872 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -98.44 102.18 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 53.030000000000001 109.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.82 133.93 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.150000000000006 109.264 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.72 16.89 74.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.872 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 1.5 p -126.68 12.25 7.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 64.200000000000003 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.6 t80 -75.56 136.53 40.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 73.400000000000006 111.019 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 4.2 m-20 -138.87 93.16 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.355 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.633 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 26.5 p80 -39.89 -59.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.299999999999997 109.624 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 26.6 mtmt -43.58 -47.15 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 64.030000000000001 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 6.1 mptt -63.25 -39.49 94.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 3.2 t80 -61.31 -63.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 75.310000000000002 111.01 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.9 m-85 -52.33 -23.11 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 111.026 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -77.36 -51.2 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 55.43 109.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . . . -65.99 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 82.2 m -90.66 -26.17 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 72.540000000000006 108.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.73 -14.37 64.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 44.329999999999998 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 7' ' ' LEU . 12.4 mt -42.52 -28.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.308 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLY . 42.1 t -65.29 -49.21 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 74.150000000000006 110.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -90.07 6.65 82.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 29.3 mmtt -71.23 -179.64 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 73.230000000000004 109.289 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.989 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -87.89 153.35 21.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 61.340000000000003 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.498 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 1.3 m -68.88 -26.55 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.319999999999993 110.409 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.62 -63.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' OE2' ' CG ' ' A' ' 39' ' ' LYS . 6.6 pt-20 -51.72 -36.93 48.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 75.310000000000002 110.307 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 40' ' ' SER . 25.4 t -45.67 -47.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 50.439999999999998 109.335 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.258 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HZ2' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -76.14 -20.93 57.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 44.009999999999998 109.326 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -83.04 -37.26 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 52.509999999999998 109.344 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 10.1 t80 -62.42 -20.94 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 70.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.36 -8.64 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -72.52 -48.93 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 70.109999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.86 -58.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.334 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.579 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 71.6 m-20 -40.17 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 52.030000000000001 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.39 -17.06 33.17 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.629 1.68 . . . . 64.040000000000006 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.4 p-10 -119.96 -14.13 8.95 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.889 -1.053 . . . . 54.509999999999998 109.995 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 20.7 mmtp 61.92 36.96 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 109.304 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.1 p -56.92 -17.67 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.17 -31.94 6.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.972 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.0 -170.86 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 64.129999999999995 111.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 59' ' ' ILE . 82.3 mt -127.24 77.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 72.530000000000001 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -52.52 165.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 71.239999999999995 110.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -51.93 -41.48 62.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.85 -24.47 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -88.1 -34.25 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 63.229999999999997 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.709 ' CD1' HD13 ' A' ' 87' ' ' LEU . 12.3 mt -52.17 -54.52 29.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 63.340000000000003 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 9.6 ptmm? -53.26 -21.09 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 70.540000000000006 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.475 HD22 ' CD ' ' A' ' 69' ' ' GLN . 39.9 mt -92.76 26.69 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.283 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.726 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 15.3 t80 -77.56 2.35 16.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 70.219999999999999 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 17.2 mt -118.13 -7.75 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.129999999999995 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.475 ' CD ' HD22 ' A' ' 66' ' ' LEU . 42.0 mt-30 -89.4 1.48 55.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.295 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.743 ' ND2' ' CD1' ' A' ' 71' ' ' PHE . 3.5 p-10 -86.13 -45.33 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 72.519999999999996 109.341 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.743 ' CD1' ' ND2' ' A' ' 70' ' ' ASN . 51.0 m-85 -83.27 9.49 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 73.129999999999995 111.02 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -179.06 154.85 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 109.3 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.17 27.28 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 65.140000000000001 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.81 20.79 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 51.43 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -92.45 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 73.510000000000005 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -57.97 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -123.25 137.55 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 68' ' ' LEU . 2.5 mm? -53.07 140.49 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.200000000000003 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 82' ' ' GLU . 32.0 t -61.13 164.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 53.539999999999999 109.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -26.25 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 64.109999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -54.5 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . 18.1 mt-10 -44.99 -43.16 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 64.510000000000005 110.342 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 64' ' ' LEU . 21.3 m -67.0 -32.53 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 74.030000000000001 110.367 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.9 mtmt -66.37 -40.84 89.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 73.340000000000003 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.95 -48.38 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.209999999999994 109.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.726 ' CE1' ' CG ' ' A' ' 67' ' ' PHE . 10.2 t80 -70.81 -13.72 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 64' ' ' LEU . 38.4 tp -83.94 -56.58 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 63.420000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -25.3 64.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.32 109.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.633 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.72 -60.16 1.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 60.32 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.8 t0 -61.44 120.69 10.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 63.140000000000001 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 t -100.44 -14.86 18.13 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.652 1.691 . . . . 63.130000000000003 110.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 12.5 p-10 -98.62 -13.8 20.18 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 114.935 -1.029 . . . . 65.400000000000006 109.996 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 50.15 67.96 1.62 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 73.299999999999997 111.011 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -110.16 -23.01 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 71.109999999999999 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.39 -2.1 18.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 70.329999999999998 111.012 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -131.62 146.65 52.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 64.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -118.96 108.03 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 62.100000000000001 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.36 -163.94 16.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.457 1.098 . . . . 63.399999999999999 110.98 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -83.93 -37.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 62.109999999999999 109.269 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -16.07 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 52.109999999999999 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -102.51 -36.98 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.409999999999997 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 107' ' ' ILE . 57.3 t80 -78.03 -24.89 47.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.615 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -88.96 -13.31 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 61.049999999999997 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.77 -50.41 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 61.149999999999999 109.336 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.591 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.1 ptm -54.97 -15.47 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 72.25 111.041 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.771 HG23 ' CD1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -109.03 -32.91 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -54.39 -41.36 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 74.299999999999997 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 64.109999999999999 110.989 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.964 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.308 -0.626 . . . . 74.019999999999996 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.03 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.2 m-85 -52.1 -21.11 2.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 73.310000000000002 111.013 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.09 -23.55 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.291 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -82.77 -51.21 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 74.549999999999997 109.959 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.11 -62.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.016 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -104.54 -176.52 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 61.130000000000003 109.31 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -83.72 121.83 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -53.2 -31.56 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.209999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.24 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 74.140000000000001 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.18 -58.47 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 110.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.85 -30.48 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 54.520000000000003 109.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -50.66 -55.17 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 71.120000000000005 110.362 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.02 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.294 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.89 -18.32 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.809 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.8 mt -90.25 -29.43 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 109.279 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -84.27 -17.09 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 72.030000000000001 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -14.87 81.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 111.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' C ' ' N ' ' A' ' 21' ' ' ALA . 9.3 p -108.45 -20.17 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.255 -1.017 . . . . 55.399999999999999 108.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -40.35 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 70.310000000000002 109.265 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -73.49 117.16 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 64.120000000000005 109.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' SER . . . -50.64 149.37 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 109.288 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 39.47 29.55 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.733 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.5 t -125.6 2.78 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.966 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 23.5 t80 -65.67 125.35 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.549999999999997 111.037 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 1.3 m-20 -123.52 82.35 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 70.310000000000002 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 26.1 p-80 -40.22 -56.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.439999999999998 109.572 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 50.2 mttt -43.2 -51.09 6.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HZ2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -62.49 -38.04 88.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 109.295 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 1.6 t80 -59.62 -63.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 63.310000000000002 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CG2' ' A' ' 107' ' ' ILE . 12.0 m-85 -56.99 -36.91 70.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.099999999999994 110.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -73.16 -25.12 60.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.245 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -72.13 -61.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 51.530000000000001 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.016 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.7 p -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 108.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.11 -9.74 59.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.975 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' PHE . 10.8 mt -40.38 -38.31 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 70.010000000000005 109.311 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -71.57 117.77 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.81 -22.08 41.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.27 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 74.340000000000003 109.299 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 m -82.91 140.66 32.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 44.240000000000002 109.968 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -66.21 -9.68 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -78.98 -55.12 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 63.329999999999998 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.5 pt-20 -58.33 -40.66 82.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -46.59 -50.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 63.130000000000003 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 45.6 mttm -54.24 -32.19 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mmmt -80.1 -24.16 40.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -82.29 -21.56 36.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 109.283 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 59' ' ' ILE . 30.4 t80 -72.58 -20.77 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 110.96 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.12 -44.59 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 32.340000000000003 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.03 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.9 mm -41.31 -47.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 mt -70.88 -61.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.25 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -40.38 103.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 52.420000000000002 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 26.6 mt-30 -95.2 -23.49 17.24 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.639 1.685 . . . . 74.519999999999996 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.1 p-10 -113.15 3.97 16.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.857 -1.068 . . . . 73.430000000000007 109.962 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 41.09 49.48 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 109.314 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -74.0 -4.62 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 73.439999999999998 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 96.16 -28.31 13.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 74.310000000000002 111.055 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.415 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 12.9 m-85 -136.89 177.98 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 75.239999999999995 110.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 59' ' ' ILE . 36.5 mt -118.83 76.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.240000000000002 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -47.5 163.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 74.099999999999994 110.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 64' ' ' LEU . 34.5 tt0 -55.22 -24.67 28.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 73.430000000000007 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.95 -25.6 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -86.0 -26.4 25.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 52.219999999999999 110.259 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 87' ' ' LEU . 11.4 mt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 72.5 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 8.4 ptpp? -60.4 -15.87 30.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 53.100000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 mt -92.82 27.36 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.150000000000006 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 53.7 t80 -81.42 7.4 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 110.991 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.9 mt -118.53 -7.64 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 38.0 mt-30 -91.86 1.67 57.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 72.430000000000007 110.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.59 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.9 p30 -83.53 -45.49 13.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 61.399999999999999 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.809 ' CB ' HD11 ' A' ' 16' ' ' LEU . 71.9 m-85 -82.84 6.13 19.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.109999999999999 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -177.28 151.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.09 64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 64.150000000000006 109.288 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 177.51 -34.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 52.329999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.61 139.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 53.329999999999998 109.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -56.74 -170.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 73.409999999999997 110.29 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -127.13 133.37 50.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 62.100000000000001 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 25' ' ' PHE . 1.8 mm? -40.28 147.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 53.530000000000001 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -60.15 -176.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 53.409999999999997 109.962 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.98 -29.67 66.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 63.240000000000002 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -86.95 -50.55 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 63.530000000000001 109.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -46.3 -45.35 17.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 62.310000000000002 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.2 m -68.3 -27.79 66.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 70.319999999999993 110.432 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ALA . 18.4 mttm -71.34 -45.83 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.39 -48.8 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 72.010000000000005 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 27' ' ' HIS . 7.0 t80 -64.93 -13.6 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 64.430000000000007 110.959 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.831 HD13 ' CD1' ' A' ' 64' ' ' LEU . 49.7 tp -84.15 -64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 74.409999999999997 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -23.27 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -68.97 -28.69 66.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 62.030000000000001 109.308 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.81 -69.87 0.6 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 42.329999999999998 111.02 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.57 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.6 t0 -48.65 119.59 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 71.129999999999995 109.271 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -100.6 4.16 43.15 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 123.637 1.684 . . . . 70.129999999999995 110.032 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.4 p-10 -123.85 -9.6 7.77 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.948 -1.025 . . . . 62.509999999999998 109.994 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.05 63.28 2.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 74.019999999999996 110.966 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -103.06 -22.94 13.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 64.430000000000007 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.96 5.74 11.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -143.86 154.89 43.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 73.310000000000002 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -126.97 104.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 109.326 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.54 -170.05 8.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 61.439999999999998 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -76.4 -52.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 63.020000000000003 109.271 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.75 -29.21 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 73.120000000000005 109.312 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.36 -36.28 19.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.424 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.3 t80 -66.12 -31.92 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 75.420000000000002 111.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.4 -3.78 59.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.430000000000007 109.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 -53.98 4.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 64.109999999999999 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.555 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.0 ptm -53.23 -19.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 45.020000000000003 110.947 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.788 HD11 HG11 ' A' ' 44' ' ' VAL . 17.8 pt -100.41 -44.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -61.41 -22.7 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 65.230000000000004 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.984 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 63.340000000000003 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.846 ' CD2' HD12 ' A' ' 7' ' ' LEU . 8.1 m-85 -53.08 -19.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 70.540000000000006 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.77 -28.24 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 t -102.38 -44.17 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 71.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.59 -63.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' CD2' ' A' ' 3' ' ' PHE . 32.4 mt -107.16 -176.26 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 71.019999999999996 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -89.2 111.94 22.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 64.109999999999999 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 8.5 p-10 -57.75 -17.68 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 70.439999999999998 109.323 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -85.96 -29.2 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.271 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.6 mm-40 -86.8 -60.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.219999999999999 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 8' ' ' LYS . 4.5 m -39.06 -51.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -48.39 -51.21 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 110.406 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -59.53 -34.03 72.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.329999999999998 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -73.85 -24.68 59.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.796 HD11 ' CB ' ' A' ' 71' ' ' PHE . 7.6 mt -74.55 -43.28 56.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.94 -17.0 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 53.520000000000003 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.94 -4.03 61.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.448 1.092 . . . . 52.43 110.996 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -138.82 25.15 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 71.310000000000002 108.301 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.26 -46.88 88.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.286 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.99 120.56 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.010000000000005 109.333 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 140.68 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 109.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.64 -24.56 16.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 63.009999999999998 111.002 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 p -98.14 14.83 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 63.329999999999998 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CD2' HD11 ' A' ' 78' ' ' LEU . 2.2 t80 -89.99 146.65 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 111.031 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.9 m-20 -144.43 128.78 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.340000000000003 109.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.649 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 15.7 p80 -69.41 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 55.299999999999997 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mtmm -47.55 -39.23 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.030000000000001 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.5 mmtt -66.35 -55.02 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 55.109999999999999 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 4.9 t80 -43.47 -63.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 111.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.8 m-85 -52.12 -26.66 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 64.439999999999998 111.012 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -86.33 -24.16 25.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.61 -28.07 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 2.7 m -94.17 -27.13 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 75.150000000000006 108.328 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 106.69 -13.46 42.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 62.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' HD11 ' A' ' 7' ' ' LEU . 7.5 mt -41.44 -29.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.1 t -65.54 -51.42 59.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 110.03 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.35 5.0 82.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 44.020000000000003 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 7' ' ' LEU . 20.0 mmtt -76.84 -175.36 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 64.120000000000005 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.608 ' O ' HG23 ' A' ' 44' ' ' VAL . 74.2 m -99.53 147.33 25.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 110.012 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -12.74 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.396 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.275 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 pt-20 -54.27 -38.14 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 74.310000000000002 110.307 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 107' ' ' ILE . 79.7 t -47.55 -45.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 64.319999999999993 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HG2' HD12 ' A' ' 100' ' ' ILE . 47.1 mttm -60.02 -31.55 70.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 53.109999999999999 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -85.68 -20.53 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 65.519999999999996 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.62 -12.19 56.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 70.2 t80 -80.12 -21.63 43.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.595 ' HB1' ' HE2' ' A' ' 55' ' ' LYS . . . -86.37 -28.67 23.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 73.310000000000002 109.307 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.881 HD12 ' CB ' ' A' ' 2' ' ' ALA . 30.8 mm -56.65 -45.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 73.319999999999993 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.7 mt -69.93 -65.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m-20 -44.24 103.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 28.8 mt-30 -84.62 -16.57 41.58 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.693 1.711 . . . . 73.230000000000004 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.451 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.7 p30 -118.3 -6.61 10.8 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.897 -1.049 . . . . 65.140000000000001 109.977 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.595 ' HE2' ' HB1' ' A' ' 49' ' ' ALA . 0.0 OUTLIER 49.55 55.8 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.3 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.4 p -74.44 -11.38 60.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.39 -17.43 40.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 51.25 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -141.83 -175.43 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 111.038 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 11.7 mt -126.89 79.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 71.049999999999997 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -49.45 166.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 110.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.86 -33.0 74.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.329999999999998 110.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -73.95 -20.96 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.242 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 66' ' ' LEU . 12.1 mt-10 -94.47 -17.72 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 63.310000000000002 110.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.45 -46.04 91.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -62.82 -14.06 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 63.439999999999998 109.294 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.854 HD22 ' NE2' ' A' ' 69' ' ' GLN . 13.4 mt -90.33 16.85 7.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 63.329999999999998 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.766 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -62.97 -12.13 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.209999999999994 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 78' ' ' LEU . 8.3 mt -100.74 -12.56 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 51.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.854 ' NE2' HD22 ' A' ' 66' ' ' LEU . 29.2 mt-30 -73.97 -2.93 26.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.661 ' HB2' HG22 ' A' ' 50' ' ' ILE . 4.9 p30 -83.7 -45.29 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CB ' HD11 ' A' ' 16' ' ' LEU . 40.0 m-85 -85.68 8.48 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 tppt? -175.12 150.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 65.400000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.96 21.09 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 63.439999999999998 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.68 24.48 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 60.229999999999997 111.017 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -69.48 164.6 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 44.340000000000003 109.292 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.82 156.79 28.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 110.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 65' ' ' LYS . . . -94.51 136.3 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 52.020000000000003 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' HG ' ' A' ' 68' ' ' LEU . 1.7 mm? -70.09 136.91 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 54.109999999999999 109.32 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.4 m -61.14 146.18 48.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.239999999999995 109.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.5 -30.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -68.78 -65.21 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 4.2 mp0 -49.43 -50.52 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.329999999999998 110.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -59.94 -36.91 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 60.130000000000003 110.437 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -59.5 -49.92 75.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 75.109999999999999 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.911 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.56 -16.27 62.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 75.310000000000002 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.649 ' CE1' ' CB ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -82.62 -31.98 28.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 65.439999999999998 111.006 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -75.04 -64.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.510000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -56.03 -19.72 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 61.210000000000001 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.79 -55.21 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.310000000000002 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.73 -57.24 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 74.129999999999995 110.971 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.628 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.0 t0 -59.03 119.54 7.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 70.030000000000001 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -100.56 -17.89 16.87 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 123.622 1.677 . . . . 65.310000000000002 110.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 11.9 p-10 -93.3 -15.57 25.65 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.948 -1.025 . . . . 74.540000000000006 109.999 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 53.53 60.2 8.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 42.420000000000002 110.992 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -101.86 -21.41 14.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 73.409999999999997 109.342 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.67 -1.08 29.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.939 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -130.19 149.04 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 54.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.628 HD11 ' H ' ' A' ' 91' ' ' ASP . 3.4 mt -129.68 103.18 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.04 1.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.084 . . . . 71.510000000000005 111.028 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.474 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -82.06 -34.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 51.43 109.333 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -68.31 -28.63 67.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 53.310000000000002 109.305 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.94 -37.5 16.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.249 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 106' ' ' MET . 9.1 t80 -72.94 -31.44 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.450000000000003 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.674 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -85.5 -54.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.303 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 6.1 ptm -51.45 -20.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.040000000000006 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.852 HD11 HG11 ' A' ' 44' ' ' VAL . 11.8 pt -98.36 -43.15 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -66.09 -16.37 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 70.209999999999994 109.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 72.340000000000003 110.996 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.722 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.254 -0.647 . . . . 71.530000000000001 109.254 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.73 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 9.2 m-85 -48.23 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 64.239999999999995 111.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' OD2' ' A' ' 9' ' ' ASP . . . -43.6 -27.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 m -100.48 -42.74 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.6 -63.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 64.510000000000005 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.679 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.4 mt -114.55 -176.34 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 66.6 mmtt -82.81 122.48 28.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 109.337 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.485 ' OD2' ' CB ' ' A' ' 4' ' ' ALA . 13.2 m-20 -59.59 -21.26 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 70.439999999999998 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.78 -19.63 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 43.43 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 16.3 mm-40 -87.95 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 65.030000000000001 110.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 13' ' ' THR . 13.6 m -40.33 -52.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.25 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -44.71 -51.35 9.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 64.219999999999999 110.371 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.39 -38.66 69.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 71.200000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -61.37 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 68' ' ' LEU . 15.1 mt -55.59 -54.3 45.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 74.150000000000006 109.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.94 -14.14 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.040000000000006 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.65 -15.53 71.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 71.109999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -133.32 28.3 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 109.279 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 149.62 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 71.120000000000005 109.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.71 153.36 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 8.23 48.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 44.420000000000002 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -123.9 24.94 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 74.430000000000007 109.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 74.2 t80 -75.07 141.13 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 110.966 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -144.66 94.14 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 31.6 p80 -61.21 -59.42 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 109.568 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 5.4 pttt -40.02 -59.93 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.1 mptp? -53.83 -54.13 42.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 63.100000000000001 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 5.1 t80 -41.61 -63.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 70.439999999999998 111.0 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.4 m-85 -52.14 -25.75 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 70.329999999999998 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 12.3 mmtt -87.54 -23.93 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.325 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.01 -31.61 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 43.310000000000002 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.554 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 m -89.35 -27.18 20.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 75.5 108.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 106.79 -13.98 41.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.679 ' HG ' HD11 ' A' ' 7' ' ' LEU . 2.6 mt -40.47 -30.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 0.772 . . . . 63.450000000000003 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.471 ' CB ' ' HG2' ' A' ' 32' ' ' LYS . 1.5 t -69.38 -59.2 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.239999999999995 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.61 -5.71 69.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 52.200000000000003 111.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 7' ' ' LEU . 15.2 mmtt -69.04 -174.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 64.430000000000007 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.2 m -98.08 146.96 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 71.120000000000005 109.993 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -63.18 -12.3 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 110.439 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.91 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 74.219999999999999 109.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 7' ' ' LEU . 6.5 pt-20 -57.34 -39.47 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 71.530000000000001 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -42.36 -47.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 54.5 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' HD12 ' A' ' 100' ' ' ILE . 22.9 mttm -54.41 -44.4 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . 2.6 mtmt -75.05 -20.5 59.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -11.62 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 75.1 t80 -85.44 -20.68 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 1.041 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -83.58 -43.1 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.722 HD12 ' CB ' ' A' ' 2' ' ' ALA . 6.7 mm -40.49 -47.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 70.299999999999997 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 66' ' ' LEU . 6.8 mt -70.96 -64.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 75.120000000000005 109.335 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 73.3 m-20 -43.26 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 50.5 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 12.2 mt-30 -88.15 -33.34 18.25 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.594 1.664 . . . . 64.319999999999993 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -98.07 -6.25 32.14 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 117.93 -1.033 . . . . 64.109999999999999 109.998 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 1.041 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 7.9 mmmt 49.49 54.51 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.297 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -74.72 -6.95 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.120000000000005 110.002 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 -5.4 71.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 63.039999999999999 110.984 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.08 -178.22 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 63.130000000000003 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 59' ' ' ILE . 24.9 mt -127.64 81.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 62.219999999999999 109.254 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -48.13 175.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 110.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.28 -28.28 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.345 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -80.73 -21.99 40.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.510000000000005 110.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -85.93 -22.55 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 60.310000000000002 110.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 98' ' ' ILE . 10.9 mt -60.82 -40.12 91.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.340000000000003 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -67.56 -13.11 61.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.008 HD22 ' NE2' ' A' ' 69' ' ' GLN . 11.3 mt -94.44 26.9 3.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 70.400000000000006 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.792 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -70.03 -11.36 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 111.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 16' ' ' LEU . 31.5 mt -102.0 -13.58 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 65.209999999999994 109.345 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 1.008 ' NE2' HD22 ' A' ' 66' ' ' LEU . 49.5 mt-30 -71.1 -5.71 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.549999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.678 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.1 p30 -82.75 -45.19 14.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 71.450000000000003 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.73 ' CE2' ' CE1' ' A' ' 3' ' ' PHE . 34.5 m-85 -83.43 10.02 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 111.034 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.47 147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 71.239999999999995 109.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.47 29.8 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.74 29.38 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 71.099999999999994 110.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.27 158.06 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 70.409999999999997 109.264 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.38 160.21 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 110.281 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.13 145.56 29.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 72.25 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 1.9 mm? -76.64 168.29 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 71.310000000000002 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.8 t -77.68 167.89 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 55.439999999999998 110.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -24.28 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.439999999999998 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.21 -51.89 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 61.43 109.357 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -52.84 -55.45 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 74.530000000000001 110.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 m -56.49 -30.53 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 63.43 110.418 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -68.24 -62.81 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.729 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -48.45 -24.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -80.01 -40.81 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.0 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 64' ' ' LEU . 48.2 tp -60.62 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -54.25 -31.09 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -57.4 -36.07 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -71.53 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 35.149999999999999 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.565 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.2 t0 -45.21 119.83 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 109.263 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -12.48 19.48 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 123.607 1.67 . . . . 72.409999999999997 110.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.8 p-10 -104.43 -9.15 18.63 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.862 -1.066 . . . . 70.040000000000006 109.944 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 47.51 62.78 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 73.230000000000004 111.013 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -105.08 -23.04 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 73.239999999999995 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 -0.7 22.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 43.130000000000003 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -130.81 154.46 48.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 72.409999999999997 109.279 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.565 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.8 mt -130.43 108.52 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 74.030000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.13 -162.94 10.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 74.299999999999997 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -83.86 -34.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 64.349999999999994 109.279 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -28.96 66.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 64.510000000000005 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.73 -33.95 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 71.109999999999999 110.311 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 12.4 t80 -76.35 -31.44 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.79 -4.03 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 65.310000000000002 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.46 -54.3 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 63.329999999999998 109.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 3.8 ptm -51.67 -21.21 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.329999999999998 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 44' ' ' VAL . 12.6 pt -97.42 -43.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 65.25 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -66.87 -15.85 63.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 51.210000000000001 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 60.299999999999997 110.959 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.984 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.34 -0.615 . . . . 71.329999999999998 109.34 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.109 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.5 m-85 -48.66 -24.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 74.25 111.007 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -28.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 61.210000000000001 109.322 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 m -79.26 -53.55 6.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 110.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 3.6 t -63.58 -62.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.099999999999994 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.1 mt -105.76 175.37 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.0 131.2 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 63.25 109.331 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.12 -34.95 46.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.23 -26.14 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 23.02 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mm-40 -76.62 -62.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.049999999999997 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.6 m -52.08 -31.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 50.240000000000002 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.29 -52.24 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.409999999999997 110.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.41 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 109.286 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.13 -27.76 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 71' ' ' PHE . 10.3 mt -79.42 -29.36 41.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.87 -23.4 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 70.129999999999995 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.19 -7.01 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.020000000000003 110.992 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.74 24.46 5.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.281 -1.007 . . . . 74.349999999999994 108.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.97 -39.06 63.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.336 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -80.65 135.52 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 75.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 124.63 23.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.46 -3.85 85.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 65.349999999999994 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.4 t -99.95 10.79 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 0.724 . . . . 70.400000000000006 110.028 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 9.4 t80 -83.15 108.67 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 62.030000000000001 111.005 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.401 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.6 m-20 -111.59 95.07 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 65.329999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -40.75 -62.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 73.040000000000006 109.613 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -42.72 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' LYS . 6.0 mmmm -48.67 -59.95 3.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.129999999999995 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.6 t80 -39.5 -63.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.450000000000003 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CG ' HG22 ' A' ' 107' ' ' ILE . 42.5 m-85 -59.08 -26.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 72.409999999999997 110.931 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.5 mtpm? -80.59 -18.47 48.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 109.286 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -83.78 -62.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.564 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -64.99 -18.13 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 71.150000000000006 108.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.99 -4.41 78.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 71.200000000000003 110.994 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.38 -31.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 72.439999999999998 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.1 t -68.35 -52.21 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 70.140000000000001 110.034 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -82.94 -0.94 90.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 53.450000000000003 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' GLY . 18.9 mmtt -68.38 -171.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 75.230000000000004 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -103.61 137.89 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.025 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -52.26 -20.7 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.230000000000004 110.388 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -61.31 -63.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 63.240000000000002 109.308 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' ALA . 6.3 pt-20 -59.79 -38.45 81.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.329 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 107' ' ' ILE . 70.0 t -43.36 -51.44 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -59.9 -37.67 80.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 60.119999999999997 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.5 mtpm? -73.56 -20.53 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -80.96 -35.51 32.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 70.319999999999993 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 59' ' ' ILE . 84.1 t80 -62.29 -21.59 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.29 -12.61 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 50.109999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.109 HG21 ' CD1' ' A' ' 3' ' ' PHE . 14.2 mm -70.77 -59.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.91 -70.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.354 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 2.0 t0 -41.02 103.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 72.519999999999996 109.314 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.9 mt-30 -93.59 -41.66 9.62 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 123.634 1.683 . . . . 75.219999999999999 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 29.2 p30 -73.69 -20.31 60.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.919 -1.039 . . . . 72.5 109.967 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 53.76 25.1 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 109.329 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' CG ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -48.25 -24.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 110.044 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.05 -54.83 0.77 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 62.539999999999999 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CG ' ' NZ ' ' A' ' 97' ' ' LYS . 14.5 m-85 -127.22 134.68 50.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 72.109999999999999 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 63' ' ' GLU . 96.4 mt -68.71 83.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 71.340000000000003 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.16 166.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 63.100000000000001 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -53.4 -34.51 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 64.420000000000002 110.321 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.69 -26.47 67.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.73 ' HB3' HG23 ' A' ' 59' ' ' ILE . 18.6 mt-10 -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.049999999999997 110.293 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 98' ' ' ILE . 11.9 mt -51.45 -54.07 30.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 64.430000000000007 109.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.58 ' HG3' HD23 ' A' ' 66' ' ' LEU . 8.0 ptpt -53.95 -20.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 53.109999999999999 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.58 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.5 mt -92.77 27.38 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 64.219999999999999 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 79.1 t80 -77.72 2.79 15.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.129999999999995 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.0 mt -117.92 -7.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.310000000000002 109.304 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.92 1.05 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.647 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.7 p30 -84.4 -46.02 12.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 61.310000000000002 109.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 53.0 m-85 -81.4 4.11 22.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -175.15 149.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.7 24.68 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 64.200000000000003 109.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.32 21.01 0.84 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.93 151.69 22.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 0.8 . . . . 62.329999999999998 109.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -61.59 -170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.219999999999999 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -135.3 124.43 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 64.25 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mm? -40.37 134.19 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 52.530000000000001 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -61.66 167.22 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 54.200000000000003 109.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -23.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.297 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.84 -61.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.287 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.6 mp0 -49.44 -22.78 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 72.450000000000003 110.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.0 m -89.37 -28.7 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 61.240000000000002 110.403 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.5 mtpt -74.89 -40.36 60.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 72.439999999999998 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.35 -39.12 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.7 t80 -81.19 -15.72 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 52.43 111.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 64' ' ' LEU . 46.0 tp -82.32 -52.11 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.54 -26.7 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 65.329999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -55.12 -65.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 53.32 109.313 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.58 -72.96 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.112 . . . . 63.299999999999997 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -44.9 119.67 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 60.43 109.298 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 t -100.62 -37.95 8.55 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 123.611 1.672 . . . . 71.209999999999994 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.6 p-10 -72.9 -9.53 58.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 117.936 -1.031 . . . . 72.140000000000001 110.007 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.21 53.25 31.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 111.016 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.53 -22.91 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 71.439999999999998 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 13.05 23.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.546 ' NZ ' ' CG ' ' A' ' 58' ' ' PHE . 4.9 mtmp? -135.46 147.41 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.75 . . . . 71.209999999999994 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.908 HD12 HD21 ' A' ' 64' ' ' LEU . 3.8 mt -123.45 107.52 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.8 -163.88 32.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 63.140000000000001 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -83.75 -39.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 55.100000000000001 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -16.63 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 73.340000000000003 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -98.63 -38.72 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 64.010000000000005 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.47 -26.6 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 74.349999999999994 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.19 -12.51 49.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 64.219999999999999 109.321 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.69 -51.59 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 22.350000000000001 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.05 -18.37 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 111.033 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.753 HD11 ' CG1' ' A' ' 44' ' ' VAL . 24.5 pt -100.61 -44.99 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 62.329999999999998 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -30.69 63.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 54.229999999999997 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 31.399999999999999 110.982 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.776 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.296 -0.631 . . . . 64.239999999999995 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.6 m-85 -59.24 -15.61 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 62.450000000000003 110.982 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 50.020000000000003 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 p -82.13 -54.61 5.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 110.07 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.84 -63.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.420000000000002 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -115.97 -176.42 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 54.530000000000001 109.302 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -93.79 136.17 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 109.285 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -60.16 -16.09 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 55.539999999999999 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.64 -25.01 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 44.210000000000001 109.329 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -86.96 -66.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.219999999999999 110.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.7 m -41.28 -40.54 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.32 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.59 -54.44 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 110.426 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -49.89 -36.01 25.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.748 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -69.19 -36.14 76.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.759 HD11 ' CB ' ' A' ' 71' ' ' PHE . 11.9 mt -67.18 -36.0 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 65.049999999999997 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -89.4 -15.99 31.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 42.439999999999998 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -68.72 -6.78 52.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 45.420000000000002 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 22.8 p -137.19 24.19 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.324 -0.991 . . . . 44.409999999999997 108.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -56.16 -46.77 79.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 65.120000000000005 109.264 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 98.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 62.420000000000002 109.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.84 130.06 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.52 39.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 50.039999999999999 110.995 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.99 18.0 15.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 74.010000000000005 109.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.59 124.3 26.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.965 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 6.2 m-20 -130.7 86.37 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 109.336 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' NE2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 p-80 -40.0 -56.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 62.43 109.57 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 29.0 mtmt -47.6 -45.31 27.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 47.9 mmtt -62.63 -59.7 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.345 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.748 ' CE1' ' HB1' ' A' ' 15' ' ' ALA . 2.1 t80 -39.05 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.340000000000003 110.958 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 57.9 m-85 -52.09 -36.64 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 73.129999999999995 111.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -73.89 -23.31 59.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.340000000000003 109.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -73.34 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 43.43 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -62.37 -20.43 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.310000000000002 108.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.32 -11.25 54.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 110.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' PHE . 11.0 mt -40.45 -37.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 74.25 109.335 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -69.54 112.03 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 64.219999999999999 109.969 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 -20.98 41.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 52.109999999999999 110.998 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -53.84 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 51.219999999999999 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 44' ' ' VAL . 66.5 m -84.26 139.56 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 55.100000000000001 110.028 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -63.95 -11.3 27.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.404 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -76.11 -54.56 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 70.329999999999998 109.309 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.0 -38.24 82.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 73.299999999999997 110.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 78.4 t -48.88 -55.58 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 64.549999999999997 109.29 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 39.6 mttm -45.53 -34.45 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 63.109999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 8.2 mmmm -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.14 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 33.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 59' ' ' ILE . 65.9 t80 -59.4 -23.99 63.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.510000000000005 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.37 -20.31 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 109.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 2' ' ' ALA . 12.7 mm -70.01 -47.88 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 8.3 mt -71.1 -68.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 70.140000000000001 109.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 59' ' ' ILE . 6.1 m-20 -43.84 103.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 63.130000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 29.3 mt-30 -88.84 -13.05 40.2 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.633 1.683 . . . . 74.340000000000003 110.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.3 p30 -108.25 -23.57 11.87 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.932 -1.032 . . . . 54.219999999999999 109.964 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 1.9 mmmm 58.21 21.74 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 74.319999999999993 109.351 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.14 -53.65 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 64.329999999999998 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.92 -36.56 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 110.978 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -140.42 132.32 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 71.420000000000002 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 67.0 mt -68.17 103.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 72.409999999999997 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.98 169.73 16.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 62.439999999999998 110.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -59.18 -24.63 63.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 110.255 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.26 -17.22 55.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.030000000000001 110.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -96.4 -26.89 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 110.31 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 98' ' ' ILE . 10.6 mt -61.6 -25.63 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.030000000000001 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' NZ ' ' HB1' ' A' ' 77' ' ' ALA . 9.0 ptmm? -83.81 -11.93 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.140000000000001 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 51' ' ' ILE . 10.0 mt -97.44 20.04 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 40.3 t80 -61.18 -13.6 19.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 71.519999999999996 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.95 -12.24 18.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 65.329999999999998 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 50.4 mt-30 -74.72 -2.05 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 71.340000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.707 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.0 p30 -82.61 -43.45 16.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 48.9 m-85 -85.78 9.35 16.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.099999999999994 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 3.4 tmtt? -179.02 148.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.278 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.81 29.93 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 64.200000000000003 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.22 27.29 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.84 153.53 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 71.150000000000006 109.299 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.8 ptt180 -57.37 -177.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.209999999999994 110.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB1' ' NZ ' ' A' ' 65' ' ' LYS . . . -127.84 111.86 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.2 mm? -41.22 139.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 61.229999999999997 109.309 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -67.92 161.98 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 73.340000000000003 110.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -49.14 -24.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -81.03 -63.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -52.11 -22.52 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.7 m -92.43 -23.92 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 19.0 mtpt -68.04 -58.48 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.13 -16.07 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 54.009999999999998 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.579 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -86.81 -38.01 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.120000000000005 110.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 64' ' ' LEU . 57.0 tp -65.69 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.45 -19.4 14.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.2 -55.81 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 75.530000000000001 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.03 -60.51 1.13 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.576 ' H ' HD11 ' A' ' 98' ' ' ILE . 2.6 t0 -45.01 122.3 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -54.29 4.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.648 1.69 . . . . 60.420000000000002 109.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 95' ' ' ASP . 3.6 p30 -87.72 7.59 29.52 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.884 -1.055 . . . . 74.230000000000004 109.968 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.66 51.54 1.92 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 52.520000000000003 110.999 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 9.0 p-10 -81.2 -22.91 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 74.420000000000002 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.46 1.72 12.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 40.109999999999999 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.08 151.74 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 63.240000000000002 109.285 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 64' ' ' LEU . 3.1 mt -130.18 104.81 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.18 -165.04 5.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 53.43 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -83.72 -52.11 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 73.129999999999995 109.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.36 -29.33 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 62.109999999999999 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 20.0 mt-10 -86.61 -42.64 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 110.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.4 t80 -59.54 -32.3 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.53 -5.48 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.94 -54.42 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.329999999999998 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.3 ptm -52.05 -20.08 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 75.439999999999998 110.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 14.9 pt -99.79 -43.67 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 109.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -61.08 -22.8 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.428 1.08 . . . . 62.409999999999997 111.023 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.848 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.29 -0.633 . . . . 74.049999999999997 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.154 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.92 -5.3 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 55.32 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -15.42 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 63.420000000000002 109.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -107.22 -38.32 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 61.119999999999997 109.96 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.469 HG12 ' HG ' ' A' ' 7' ' ' LEU . 63.4 t -63.66 -62.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 64.219999999999999 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 34' ' ' CYS . 6.0 mt -113.19 -176.52 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 61.200000000000003 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 1.3 mmmp? -82.55 118.29 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.98 -19.99 55.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.030000000000001 109.354 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.13 -20.64 29.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 71.400000000000006 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 85.5 mt-10 -87.69 -65.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 m -40.8 -34.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 61.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.75 -51.05 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.42 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -56.44 -34.15 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.5 -21.77 60.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 50.219999999999999 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' CB ' ' A' ' 71' ' ' PHE . 6.1 mt -88.8 -29.95 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 63.219999999999999 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.95 -24.43 23.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.26 -12.48 81.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 54.200000000000003 111.0 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.3 p -108.97 -18.18 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.303 -0.999 . . . . 73.310000000000002 108.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -40.28 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 60.43 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -78.56 109.41 12.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.55 146.73 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 52.409999999999997 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.79 18.88 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 51.32 111.036 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.6 t -123.04 13.11 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 63.539999999999999 109.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.1 t80 -91.59 116.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.120000000000005 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 53.7 t0 -114.81 94.48 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.956 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 5.6 p-80 -39.91 -48.59 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.150000000000006 109.569 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 18.5 mtmt -50.31 -48.49 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 72.519999999999996 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 42.0 mmtt -65.48 -58.28 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 63.450000000000003 109.263 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 13.7 t80 -38.45 -63.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 111.028 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 22.9 m-85 -54.27 -35.52 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 71.439999999999998 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -74.46 -19.97 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.72 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 63.329999999999998 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.4 p -61.64 -20.76 63.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 108.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.64 -10.17 60.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.948 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.5 mt -40.14 -30.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 72.340000000000003 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 35' ' ' GLY . 16.6 p -73.98 120.48 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 60.340000000000003 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.44 -17.77 57.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 110.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -54.77 -170.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 75.209999999999994 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -94.53 138.25 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 72.219999999999999 110.012 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -54.89 -18.61 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -65.48 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.209999999999994 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.0 pt-20 -56.82 -41.58 78.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 72.219999999999999 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 107' ' ' ILE . 55.5 t -45.31 -44.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 10.9 mttm -66.81 -45.27 78.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 53.32 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 11.7 mmtt -64.01 -20.92 66.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 62.039999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.94 -39.62 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 2.3 t80 -63.87 -20.67 66.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 111.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.73 -5.5 59.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 53.530000000000001 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.154 HG21 ' CD2' ' A' ' 3' ' ' PHE . 7.6 mm -77.78 -53.68 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 109.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' CE2' ' A' ' 48' ' ' PHE . 1.4 m-20 -42.08 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.030000000000001 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.82 -15.83 31.46 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.589 1.661 . . . . 73.109999999999999 110.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 11.4 p-10 -116.71 -18.43 10.27 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 117.929 -1.034 . . . . 74.310000000000002 110.034 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HZ2' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 62.39 29.67 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.040000000000006 109.266 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.455 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.5 p -45.98 -27.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.329999999999998 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 122.75 -13.84 8.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.4 m-85 -153.36 174.95 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 75.540000000000006 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -116.6 88.39 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 75.129999999999995 109.335 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -69.23 160.65 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 65.140000000000001 110.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -40.0 -34.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.519999999999996 110.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -56.54 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.54 -28.82 69.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 65.329999999999998 110.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 83' ' ' THR . 8.7 mt -51.9 -61.65 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 64.150000000000006 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -57.13 -17.95 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.59 27.78 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 51.200000000000003 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 85.7 t80 -78.09 4.59 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 71.239999999999995 111.033 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -117.77 -9.65 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 70.519999999999996 110.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.601 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.6 p30 -83.35 -45.17 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 51.6 m-85 -83.32 5.64 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 74.030000000000001 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.73 ' NZ ' ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -175.32 149.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.040000000000006 109.31 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.73 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . -101.27 22.52 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -147.45 17.8 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 61.310000000000002 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.62 -173.12 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 75.439999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 12.2 ptt180 -108.8 171.51 7.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 73.140000000000001 110.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 126.07 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.9 mm? -51.36 151.78 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.25 109.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 t -65.3 168.57 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 63.340000000000003 110.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -63.21 -25.07 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 71.25 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -38.4 15.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 62.420000000000002 109.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.71 -45.63 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 55.299999999999997 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.671 HG23 ' HB3' ' A' ' 64' ' ' LEU . 2.8 m -70.64 -21.06 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 52.240000000000002 110.441 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.945 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.95 -15.44 31.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 54.329999999999998 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -81.2 -35.79 30.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.5 111.037 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 98' ' ' ILE . 56.3 tp -68.73 -65.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 44.32 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.81 -19.49 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 72.120000000000005 109.361 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.956 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -64.03 -35.45 80.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 54.520000000000003 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.92 -62.56 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 73.239999999999995 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -57.75 93.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 74.409999999999997 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.7 t -82.64 3.09 30.31 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.641 1.686 . . . . 72.439999999999998 109.957 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -118.59 -5.27 10.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 117.933 -1.032 . . . . 51.130000000000003 109.985 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.76 69.88 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 43.219999999999999 111.005 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.62 -22.96 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 0.702 . . . . 74.519999999999996 109.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.92 -1.83 14.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 64.25 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -143.03 156.14 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 73.340000000000003 109.335 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.592 HD12 HD21 ' A' ' 64' ' ' LEU . 2.0 mt -122.52 109.25 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.69 -162.49 27.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.459 1.099 . . . . 64.430000000000007 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -80.54 -36.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 0.793 . . . . 75.439999999999998 109.296 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -71.3 -20.25 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 70.319999999999993 109.324 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -95.29 -36.73 11.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 55.43 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 50.6 t80 -77.47 -29.77 52.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 62.539999999999999 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.618 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.22 -6.21 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 44.310000000000002 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -82.29 -55.26 4.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 34.409999999999997 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.451 ' HE2' ' HE1' ' A' ' 86' ' ' PHE . 6.6 ptm -48.68 -22.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 111.009 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 44' ' ' VAL . 4.1 pt -101.62 -45.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 109.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -58.85 -18.6 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 72.25 109.326 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 34.350000000000001 110.98 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.306 -0.627 . . . . 72.230000000000004 109.306 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.161 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -52.66 -19.79 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 111.001 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.67 -21.54 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 55.229999999999997 109.321 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -97.31 -48.31 5.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.450000000000003 110.033 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 6' ' ' VAL . 3.6 t -63.74 -62.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 36' ' ' LEU . 11.3 mt -107.28 -179.54 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 109.237 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 10.0 mmmm -84.24 120.79 26.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.333 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -59.41 -24.19 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 109.342 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.25 -19.25 39.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 63.229999999999997 109.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 62.8 mm-40 -87.23 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' ALA . 16.3 m -44.46 -31.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.333 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.84 -51.04 9.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 75.230000000000004 110.411 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -61.62 -31.28 71.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 34.450000000000003 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.53 -20.21 60.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.9 mt -88.57 -42.6 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.286 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.23 -29.38 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.318 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.06 -4.65 68.36 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 64.549999999999997 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -128.1 22.23 6.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.298 -1.001 . . . . 74.340000000000003 108.298 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -84.34 -15.81 45.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.313 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -95.33 112.36 24.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 109.27 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.47 140.06 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.281 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.8 62.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 33.229999999999997 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.9 t -128.43 7.13 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 70.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 19.6 t80 -89.42 138.89 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -136.28 97.18 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 50.1 p-80 -39.97 -56.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 109.582 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -48.31 -44.8 34.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.549999999999997 109.28 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ALA . 8.1 mmmm -62.74 -61.97 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 72.400000000000006 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.7 t80 -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 63.109999999999999 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.1 m-85 -55.86 -36.1 67.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 75.329999999999998 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -73.82 -17.33 61.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 75.230000000000004 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -81.16 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 60.450000000000003 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.998 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.2 p -64.24 -21.05 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 108.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 94.63 -5.74 70.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 70.109999999999999 110.984 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.998 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.3 mt -41.97 -28.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 75.439999999999998 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -64.96 -49.37 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 110.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -89.39 6.61 83.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.438 1.086 . . . . 70.219999999999999 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -72.64 -171.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 63.140000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.976 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.1 m -97.87 152.75 18.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 63.100000000000001 109.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -9.77 47.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 54.240000000000002 110.371 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -75.52 -63.4 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 71.140000000000001 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 40' ' ' SER . 90.5 t -47.98 -39.73 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -69.08 -32.98 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.4 mmmm -79.35 -21.11 46.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -82.82 -32.46 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -62.51 -22.46 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 65.430000000000007 111.012 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.03 56.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 109.361 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.161 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -73.01 -49.65 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 71.129999999999995 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.98 HG23 ' OD1' ' A' ' 70' ' ' ASN . 2.5 mp -63.64 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.24 103.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 73.519999999999996 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 25.2 mt-30 -90.2 -15.44 31.43 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.594 1.664 . . . . 72.099999999999994 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p-10 -120.33 -22.22 6.61 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.924 -1.036 . . . . 55.310000000000002 109.961 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp 72.2 33.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.119999999999997 109.29 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -24.17 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 121.86 -23.18 7.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 71.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.9 m-85 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 71.319999999999993 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.677 ' O ' HG22 ' A' ' 59' ' ' ILE . 45.2 mt -123.52 76.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 64.150000000000006 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' GLY . 14.0 mp0 -50.69 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.150000000000006 110.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 96' ' ' GLY . 64.7 tt0 -57.61 -32.21 66.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 110.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.96 -17.08 62.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 74.519999999999996 110.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -94.42 -21.54 18.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 110.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.38 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 109.315 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -55.89 -19.1 10.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 69' ' ' GLN . 87.0 mt -92.83 27.59 2.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 67' ' ' PHE . 39.6 t80 -79.05 4.98 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.2 mt -106.31 -14.44 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 65.099999999999994 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.652 ' NE2' HD22 ' A' ' 66' ' ' LEU . 74.7 mt-30 -83.59 1.99 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.98 ' OD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -80.22 -49.87 11.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 109.344 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.789 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 60.5 m-85 -86.64 16.4 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.129999999999995 110.99 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 16.5 tttp -177.88 143.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.348 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.17 28.5 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 55.130000000000003 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.77 30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 64.310000000000002 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.51 156.92 19.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 75.030000000000001 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.06 173.81 5.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 74.420000000000002 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.96 145.47 41.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 44.130000000000003 109.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.667 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 2.8 mm? -64.03 175.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 70.030000000000001 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 31.3 t -87.92 -171.8 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 75.299999999999997 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.54 -33.29 58.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 65.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.33 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 51.149999999999999 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 9.1 mt-10 -48.42 -55.72 10.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 71.549999999999997 110.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.4 m -55.48 -38.85 69.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.407 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -56.82 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.310000000000002 109.281 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.841 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -61.53 -16.29 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -87.32 -33.89 19.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 61.409999999999997 111.012 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 35.3 tp -72.48 -64.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -55.72 -19.45 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.76 -54.12 40.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.08 -54.88 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 110.994 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.61 ' H ' HD11 ' A' ' 98' ' ' ILE . 1.9 t70 -51.9 123.21 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 63.409999999999997 109.295 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t -82.99 -54.34 5.14 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.642 1.687 . . . . 71.230000000000004 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.444 ' OD2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -91.03 10.71 25.58 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.911 -1.043 . . . . 43.140000000000001 109.997 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 37.67 51.93 1.92 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 43.549999999999997 111.043 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.444 ' CB ' ' OD2' ' A' ' 93' ' ' ASP . 7.7 p30 -79.2 -23.08 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 74.109999999999999 109.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' GLU . . . 117.27 2.79 17.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 52.539999999999999 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -130.6 144.16 51.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 72.329999999999998 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.671 HD12 HD21 ' A' ' 64' ' ' LEU . 3.9 mt -129.17 102.87 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.5 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -72.9 -162.83 6.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 73.540000000000006 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -82.64 -38.17 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 73.140000000000001 109.296 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -29.53 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 54.210000000000001 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.12 -44.35 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 110.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 55.4 t80 -63.13 -28.97 70.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.88 -10.65 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.12 -53.93 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 60.100000000000001 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 8.0 ptm -51.5 -18.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.239999999999995 111.018 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.648 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -107.13 -34.85 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 63.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 47.2 tttt -72.54 -13.72 61.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 43.530000000000001 111.069 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.95 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.303 -0.629 . . . . 60.299999999999997 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.128 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.3 m-85 -54.37 -18.46 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.340000000000003 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -21.36 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -93.98 -49.38 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 70.219999999999999 110.033 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 50' ' ' ILE . 3.4 t -63.89 -63.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 34' ' ' CYS . 5.8 mt -111.23 -176.39 2.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 12' ' ' VAL . 4.1 mptt -72.34 147.71 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 70.129999999999995 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -81.95 -29.27 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 53.200000000000003 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.89 24.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.519999999999996 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 46.3 mm-40 -67.52 -57.59 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 63.439999999999998 110.255 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.732 HG12 ' SG ' ' A' ' 34' ' ' CYS . 19.4 m -53.54 -34.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.2 m -56.91 -48.58 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 70.010000000000005 110.361 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.02 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -87.53 -25.04 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 62.140000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.544 HD11 ' CB ' ' A' ' 71' ' ' PHE . 12.1 mt -76.59 -34.21 58.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 71.030000000000001 109.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.66 -25.37 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 65.420000000000002 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.09 0.41 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.4 p -134.88 22.06 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 65.030000000000001 108.27 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -83.77 -15.57 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 70.25 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.751 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -101.29 103.14 14.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 54.140000000000001 109.347 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.62 132.97 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.349999999999994 109.26 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.32 24.26 76.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.751 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 2.8 p -132.97 8.59 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 72.310000000000002 109.976 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.0 t80 -83.74 136.9 33.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.349999999999994 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -135.03 96.42 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 26.8 p-80 -42.07 -59.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 65.099999999999994 109.588 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mmmm -44.13 -45.46 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 64.049999999999997 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 17.1 mmtp -64.62 -39.22 93.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 t80 -59.9 -62.81 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 61.32 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.7 m-85 -61.06 -36.7 80.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.439999999999998 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.7 tttm -74.82 -20.39 59.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 64.430000000000007 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -79.96 -51.5 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.039999999999999 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.732 ' SG ' HG12 ' A' ' 12' ' ' VAL . 10.1 t -76.4 -25.66 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 108.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 105.07 -11.53 48.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 70.209999999999994 110.994 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.3 mt -40.21 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 65.430000000000007 109.314 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.6 t -72.91 124.58 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.976 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.61 7.36 71.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -76.21 -171.57 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.959 ' O ' HG23 ' A' ' 44' ' ' VAL . 48.5 m -98.03 151.28 20.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 51.140000000000001 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.717 HG22 ' HD2' ' A' ' 45' ' ' LYS . 86.9 m -64.71 -20.89 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 110.39 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.16 -54.38 38.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 63.329999999999998 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.9 pt-20 -72.28 -44.43 62.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 40' ' ' SER . 74.5 t -47.22 -41.68 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 64.310000000000002 109.343 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.717 ' HD2' HG22 ' A' ' 41' ' ' THR . 5.0 mtpm? -60.35 -35.75 76.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 54.32 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.9 mmmm -72.57 -41.52 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 64.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.5 72.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 71.239999999999995 109.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 61.7 t80 -64.5 -22.16 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 74.25 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.12 -16.58 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 63.530000000000001 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.128 HG21 ' CD1' ' A' ' 3' ' ' PHE . 16.7 mm -69.83 -49.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 65.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.037 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.6 mp -62.52 -65.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 61.399999999999999 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 82.9 m-20 -40.4 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.341 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.33 -14.69 28.38 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 123.624 1.678 . . . . 74.219999999999999 110.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -120.59 -13.44 8.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.873 -1.06 . . . . 74.329999999999998 109.961 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp 61.27 36.87 17.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 61.140000000000001 109.31 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.428 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.3 p -57.07 -41.89 79.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 141.75 -21.39 2.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 74.140000000000001 111.039 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 36.9 m-85 -147.76 -175.39 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 61.210000000000001 110.981 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 59' ' ' ILE . 31.0 mt -119.91 77.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.1 mp0 -52.41 158.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 110.238 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -44.73 -36.49 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 71.510000000000005 110.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.7 -39.43 93.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' GLU . 48.1 mt-10 -69.86 -38.96 76.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 98' ' ' ILE . 12.6 mt -49.92 -62.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 34.530000000000001 109.269 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -52.98 -21.35 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.664 HD22 ' NE2' ' A' ' 69' ' ' GLN . 24.0 mt -96.66 27.46 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 70.150000000000006 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 23.0 t80 -71.52 -3.57 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 76' ' ' ARG . 13.5 mt -100.12 -21.25 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.664 ' NE2' HD22 ' A' ' 66' ' ' LEU . 57.8 mt-30 -79.26 1.44 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 1.037 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -80.43 -48.69 12.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 73.329999999999998 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 73.0 m-85 -85.53 14.56 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 54.539999999999999 110.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 2.1 ttpm? -178.04 141.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.18 29.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 72.540000000000006 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.09 27.18 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -82.47 175.05 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 65.120000000000005 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -88.98 -172.93 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.010000000000005 110.323 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -121.03 145.38 47.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 75.430000000000007 109.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.5 mm? -70.57 163.15 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.400000000000006 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.429 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 46.1 t -74.25 166.54 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 53.009999999999998 110.031 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.68 -25.08 64.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 109.35 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.62 -56.59 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 62.549999999999997 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 10.3 mt-10 -41.58 -48.87 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 110.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.5 m -65.11 -36.73 85.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 63.439999999999998 110.441 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.4 mmtt -61.99 -41.98 98.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 61.310000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -71.27 -42.83 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE2' ' CE ' ' A' ' 106' ' ' MET . 6.6 t80 -73.58 -11.6 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 110.984 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.809 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.8 tp -84.07 -53.73 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.02 -33.4 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.219999999999999 109.254 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -50.26 -31.11 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 74.540000000000006 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -115.57 -61.64 0.36 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 42.130000000000003 111.039 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 13.7 t0 -55.2 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 73.140000000000001 109.279 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -64.69 -54.63 28.54 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.651 1.691 . . . . 74.25 109.991 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 102' ' ' GLU . 11.9 p30 -71.01 -14.6 62.4 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.928 -1.034 . . . . 62.140000000000001 109.995 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.58 70.2 0.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 43.520000000000003 111.004 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.77 -14.92 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 64.340000000000003 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 1.49 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 111.025 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -146.2 167.85 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 73.510000000000005 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.898 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -127.73 107.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.26 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.81 -162.26 33.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 44.130000000000003 111.041 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -80.29 -38.71 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 72.540000000000006 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -17.01 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 93' ' ' ASP . 60.2 mt-10 -99.89 -40.11 7.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 110.239 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 57.7 t80 -75.95 -26.16 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 72.349999999999994 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.09 -11.14 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 60.229999999999997 109.328 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.26 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.519999999999996 109.264 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 4.2 ptm -50.32 -19.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 63.43 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.718 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -106.41 -37.47 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 60.43 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 19.6 tttm -69.38 -13.9 62.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 51.43 111.013 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.296 -0.631 . . . . 73.109999999999999 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.209 ' CD1' HG21 ' A' ' 50' ' ' ILE . 3.2 m-85 -66.67 -8.56 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -49.18 146.85 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 45.219999999999999 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 1.1 m 84.06 -0.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.34 -61.68 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 63.409999999999997 109.307 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.329999999999998 109.334 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . 23.4 tttt -79.25 119.41 22.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 65.430000000000007 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.25 -21.28 63.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 62.350000000000001 109.269 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -16.85 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 62.310000000000002 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 22.3 mm-40 -88.0 -64.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 23.32 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -41.89 -29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 61.329999999999998 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -49.67 -51.03 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 61.119999999999997 110.431 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -60.62 -36.29 78.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 41.509999999999998 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -64.71 -20.86 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 43.350000000000001 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 71' ' ' PHE . 14.4 mt -86.05 -51.84 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 65.340000000000003 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.47 -11.46 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 72.439999999999998 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -63.25 -11.41 39.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 35.409999999999997 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -132.78 21.76 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.331 -0.989 . . . . 74.400000000000006 108.331 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -44.08 -46.06 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 122.42 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.285 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.68 121.1 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 60.509999999999998 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 101.73 10.86 39.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 44.119999999999997 110.957 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -133.04 22.56 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 64.109999999999999 110.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 32.1 t80 -78.51 139.2 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -134.18 81.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.230000000000004 109.307 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 33.3 p-80 -39.86 -55.3 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 70.430000000000007 109.62 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 35.3 mmtt -47.7 -46.06 29.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 61.200000000000003 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 16.5 mmtp -61.98 -49.92 74.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 73.219999999999999 109.265 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.7 t80 -47.34 -62.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 74.420000000000002 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.8 m-85 -58.7 -42.77 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 53.109999999999999 111.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.42 -17.4 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -79.28 -62.0 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 63.399999999999999 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.679 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.9 p -65.47 -15.57 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 108.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 92.83 -5.3 76.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 75.319999999999993 111.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.2 mt -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.430000000000007 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.3 t -66.83 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.520000000000003 109.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.1 -7.58 57.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 72.209999999999994 110.944 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -63.15 -178.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 64.420000000000002 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.7 m -91.71 144.28 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.9 HG22 ' HZ1' ' A' ' 45' ' ' LYS . 22.7 m -63.45 -12.49 31.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 110.467 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -71.48 -55.27 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.274 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.3 pt-20 -61.47 -35.41 77.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 72.400000000000006 110.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.772 HG11 HD11 ' A' ' 107' ' ' ILE . 92.3 t -50.68 -35.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.430000000000007 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.9 ' HZ1' HG22 ' A' ' 41' ' ' THR . 26.6 mttp -68.9 -31.3 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.130000000000003 109.354 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -86.04 -20.62 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 109.285 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -83.65 -29.5 27.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 62.509999999999998 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.32 -36.06 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 64.129999999999995 111.011 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.8 -14.22 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 55.229999999999997 109.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.209 HG21 ' CD1' ' A' ' 3' ' ' PHE . 31.1 mm -69.0 -62.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.029 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.9 mp -46.52 -59.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' CE ' ' A' ' 55' ' ' LYS . 25.5 m-20 -40.52 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -88.92 -20.25 24.76 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.623 1.677 . . . . 64.25 110.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 56' ' ' SER . 2.8 p30 -117.77 -11.29 10.36 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.923 -1.037 . . . . 62.329999999999998 110.018 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 27.2 mmtm 58.38 57.07 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.298 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.442 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -81.58 -25.52 35.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 45.130000000000003 109.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.62 -33.84 3.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 31.039999999999999 111.027 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -130.02 178.03 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.540000000000006 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 22.6 mt -116.94 80.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 109.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -45.47 170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 73.430000000000007 110.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.18 -39.23 86.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.87 -19.15 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 71.099999999999994 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 26.9 mt-10 -89.49 -29.14 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 51.219999999999999 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.84 HD21 HD12 ' A' ' 98' ' ' ILE . 18.7 mt -54.28 -60.22 3.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 70.25 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 13.3 ptmt -51.62 -22.3 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 77' ' ' ALA . 16.1 mt -92.93 27.31 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 71.310000000000002 109.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 30.1 t80 -69.59 -5.84 27.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.626 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 67.5 mt -99.11 -17.53 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.420000000000002 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 66' ' ' LEU . 62.2 mt-30 -82.68 1.61 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 1.029 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.43 -49.06 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' HB2' HD21 ' A' ' 16' ' ' LEU . 74.7 m-85 -83.16 11.19 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 111.014 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 11.0 tttm -177.37 146.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 72.200000000000003 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.66 73.3 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 162.31 -26.86 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.78 144.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 62.409999999999997 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -57.67 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 71.329999999999998 110.263 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 66' ' ' LEU . . . -130.63 125.36 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 52.009999999999998 109.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.1 mm? -40.18 158.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 109.344 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 t -70.94 -172.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 64.340000000000003 110.046 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.42 -31.87 54.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 63.149999999999999 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.38 -38.58 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 71.299999999999997 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 25.2 mt-10 -61.99 -46.5 88.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.319999999999993 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 65' ' ' LYS . 66.0 m -70.13 -22.52 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 55.43 110.382 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -64.81 -58.96 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 52.229999999999997 109.326 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.773 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.55 -17.28 62.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 63.329999999999998 109.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.461 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -82.76 -39.99 21.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 111.014 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.5 tp -60.04 -64.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 70.400000000000006 109.276 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -40.61 73.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 73.319999999999993 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -40.74 -47.62 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.14 -65.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 75.120000000000005 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 4.5 t0 -65.73 93.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 73.319999999999993 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.0 t -100.65 5.36 43.79 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 123.664 1.697 . . . . 62.409999999999997 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.58 -7.62 21.66 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.903 -1.046 . . . . 62.119999999999997 109.948 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.34 51.11 55.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 70.019999999999996 110.99 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.77 -15.65 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 71.219999999999999 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' N ' ' OD2' ' A' ' 91' ' ' ASP . . . 89.74 -26.84 8.75 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 72.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 13.9 mtmm -108.35 150.58 27.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 54.520000000000003 109.266 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.84 HD12 HD21 ' A' ' 64' ' ' LEU . 4.6 mt -115.88 124.53 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 62.329999999999998 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -97.99 -162.52 30.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 54.539999999999999 111.002 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -80.96 -44.05 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 61.329999999999998 109.254 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -31.51 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 61.310000000000002 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.4 mt-10 -87.4 -46.94 9.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.3 t80 -59.25 -31.18 68.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.58 -4.47 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 63.210000000000001 109.259 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -84.84 -54.4 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 64.030000000000001 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -52.02 -21.32 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 62.310000000000002 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.772 HD11 HG11 ' A' ' 44' ' ' VAL . 15.1 pt -97.2 -43.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 109.284 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -66.96 -16.17 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.329999999999998 109.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 52.399999999999999 110.97 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.851 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 71.120000000000005 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.15 ' CD1' HG21 ' A' ' 50' ' ' ILE . 12.8 m-85 -69.06 -8.11 42.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 64.519999999999996 111.039 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.71 -15.19 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.420000000000002 109.283 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.29 -37.78 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 71.319999999999993 110.011 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 7' ' ' LEU . 59.4 t -63.65 -62.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 62.43 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.0 mt -112.38 -176.5 2.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.42 119.66 30.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 52.439999999999998 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.26 -22.24 6.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.77 -35.54 44.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -72.64 -65.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.6 m -47.7 -36.77 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 64.120000000000005 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -54.24 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 110.372 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.32 65.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 109.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -76.12 -21.93 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.94 -42.34 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.549999999999997 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.04 -15.7 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.35 -4.26 88.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 110.954 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -135.62 25.86 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.002 . . . . 73.120000000000005 108.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -78.15 -15.81 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -94.37 118.81 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 54.539999999999999 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.66 152.04 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 48.64 22.68 2.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 55.399999999999999 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -127.77 13.72 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 71.120000000000005 110.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t80 -92.71 141.21 28.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 52.219999999999999 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -134.65 94.95 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 64.219999999999999 109.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 18.9 p-80 -39.92 -62.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 4.9 mmmt -42.63 -55.75 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -49.28 -56.86 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 44.229999999999997 109.323 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 2.1 t80 -41.12 -63.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 74.019999999999996 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 65.6 m-85 -57.41 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 65.239999999999995 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 6.3 tttp -77.4 -17.26 58.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 109.338 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.15 -62.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 70.109999999999999 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.7 p -63.69 -20.62 65.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.049999999999997 108.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.63 5.6 58.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' SG ' ' A' ' 34' ' ' CYS . 13.1 mt -62.02 -16.68 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 75.140000000000001 109.378 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -72.6 -10.5 59.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.420000000000002 109.978 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.44 10.14 3.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 65.200000000000003 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 12.5 mmtt -66.53 174.91 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 74.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.1 m -79.06 140.65 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 64.219999999999999 109.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -63.3 -12.17 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.71 -53.05 6.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 72.540000000000006 109.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.3 pt-20 -65.41 -39.24 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 64.010000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 107' ' ' ILE . 50.1 t -47.07 -47.94 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 55.25 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 49.8 mttm -57.89 -31.88 67.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 62.130000000000003 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.9 mmmm -80.54 -22.4 40.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 109.261 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -78.31 -40.04 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.25 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -63.16 -20.63 65.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 110.981 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 109.309 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.15 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.9 mm -79.93 -56.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 52.149999999999999 109.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -60.87 -56.31 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 62.32 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -40.45 103.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 71.400000000000006 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.9 mt-30 -95.93 -21.2 18.19 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.582 1.658 . . . . 75.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -113.73 -2.98 13.59 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.882 -1.056 . . . . 44.210000000000001 109.973 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt 47.94 43.98 18.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.439999999999998 109.279 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -64.24 -12.0 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 34.039999999999999 110.014 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 109.17 -26.79 14.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 63.119999999999997 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.4 m-85 -144.32 179.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 74.140000000000001 111.012 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.32 84.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 109.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 175.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 110.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HG2' HG22 ' A' ' 83' ' ' THR . 14.8 tt0 -55.18 -53.27 58.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 110.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 16.8 mt-10 -52.69 -23.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.5 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.25 -25.82 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.319999999999993 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.56 ' CB ' HG23 ' A' ' 83' ' ' THR . 15.0 mt -59.05 -51.37 70.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 109.324 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 62' ' ' GLU . 6.6 ptpp? -58.35 -17.42 19.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.510000000000005 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.92 27.43 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 64.099999999999994 109.255 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 49.0 t80 -76.91 1.93 16.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 42.329999999999998 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 67' ' ' PHE . 13.5 mt -118.08 -7.76 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -88.76 1.55 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 50.439999999999998 110.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.607 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.5 p30 -86.14 -45.29 11.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.400000000000006 109.251 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.3 m-85 -82.99 8.59 12.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 111.009 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.52 159.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.42 31.55 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.311 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.88 24.64 0.49 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 43.299999999999997 111.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -88.63 164.84 15.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 0.717 . . . . 41.43 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.21 163.12 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.33 147.89 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 64.409999999999997 109.294 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 2.7 mm? -71.28 156.61 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.3 t -67.76 -177.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 64.099999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 4.6 m-20 -71.87 -24.41 61.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.18 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 59.8 mt-10 -57.3 -30.12 64.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 64' ' ' LEU . 29.8 m -87.96 -15.6 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.439999999999998 110.404 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 4.9 mtpm? -77.35 -65.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 73.299999999999997 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -47.3 -42.03 20.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -58.85 -34.25 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.310000000000002 111.007 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.9 tp -68.19 -62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -19.47 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 52.439999999999998 109.342 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.39 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.95 -48.78 6.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 35.219999999999999 110.993 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -66.58 85.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.759 . . . . 74.519999999999996 109.345 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.46 5.39 27.58 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 123.652 1.691 . . . . 73.049999999999997 109.997 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -122.0 0.4 9.66 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.923 -1.037 . . . . 74.299999999999997 109.972 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.05 69.94 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 72.510000000000005 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -99.48 -23.04 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 74.510000000000005 109.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.77 -10.43 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 111.033 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HG3' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.66 166.76 32.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 74.510000000000005 109.255 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.46 127.49 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 65.299999999999997 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.81 -165.46 35.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 60.130000000000003 110.967 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.499 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -81.02 -43.91 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 71.129999999999995 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.67 -24.51 61.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 109.285 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -92.26 -49.72 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 73.030000000000001 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -57.33 -30.23 64.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 51.350000000000001 111.024 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -85.75 -12.87 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.540000000000006 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.09 -50.56 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 60.520000000000003 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptm -56.91 -31.59 65.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 50.43 111.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 44' ' ' VAL . 13.9 pt -83.42 -54.04 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 71.329999999999998 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -54.59 -27.53 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 31.010000000000002 111.019 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.886 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.28 -0.637 . . . . 70.400000000000006 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.155 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.4 m-85 -53.81 -19.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.87 -22.71 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.020000000000003 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -104.0 -38.25 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.209999999999994 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 50' ' ' ILE . 43.6 t -64.67 -62.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 75.150000000000006 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 36' ' ' LEU . 10.4 mt -115.12 176.9 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -78.95 116.53 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 54.210000000000001 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.51 -15.81 30.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -26.37 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 63.310000000000002 109.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.17 -66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 m -45.44 -36.7 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -52.65 -58.94 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.25 -29.69 65.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 62.520000000000003 109.324 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 71' ' ' PHE . 2.6 mt -82.1 -36.41 27.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.35 -15.62 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.25 -7.07 62.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 70.230000000000004 111.022 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.29 29.86 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.249 -1.019 . . . . 72.0 108.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.0 -46.75 83.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.92 136.71 48.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.21 157.94 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 61.310000000000002 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.09 21.48 17.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 110.993 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 p -132.45 13.18 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 73.340000000000003 109.994 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 3.4 t80 -91.95 136.44 33.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 62.32 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -134.48 93.02 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 64.200000000000003 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASP . 13.8 p80 -39.87 -60.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 109.567 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 -44.89 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 63.450000000000003 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' ASP . 24.4 mmtp -66.69 -59.23 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 64.019999999999996 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 22.7 t80 -38.46 -60.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 107' ' ' ILE . 18.2 m-85 -49.65 -39.69 37.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.409999999999997 111.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.1 mmmt -76.35 -22.96 54.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 75.019999999999996 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PHE . . . -81.28 -28.36 34.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 62.520000000000003 109.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 30' ' ' PHE . 3.3 m -95.64 -23.93 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 108.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 99.53 -13.9 60.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.544 1.152 . . . . 63.520000000000003 110.985 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 7' ' ' LEU . 4.5 mt -44.33 -27.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 73.540000000000006 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -45.63 87.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 110.002 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -92.07 8.49 77.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 73.319999999999993 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 20.1 mmtt -77.89 -179.61 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 73.129999999999995 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.8 m -97.16 137.64 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 109.969 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -26.23 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 110.415 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.7 -63.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -61.26 -37.27 82.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 110.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.737 HG13 HD11 ' A' ' 107' ' ' ILE . 55.8 t -45.2 -43.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 71.120000000000005 109.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -68.6 -37.2 79.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.2 mmmt -71.79 -20.46 61.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 71.439999999999998 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -85.3 -34.35 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 62.409999999999997 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.5 t80 -63.46 -21.03 66.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 63.420000000000002 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.42 -7.42 58.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.275 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.155 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.2 mm -75.53 -51.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -65.28 -63.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 109.234 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.62 92.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 63.149999999999999 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -82.7 -24.38 33.67 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 123.549 1.643 . . . . 72.099999999999994 110.255 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 1.6 p30 -70.82 -40.02 72.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.869 -1.062 . . . . 75.239999999999995 110.004 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.1 OUTLIER 73.94 51.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 71.310000000000002 109.294 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -80.88 -30.73 35.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 45.350000000000001 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.57 -35.31 2.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 110.996 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -136.53 141.78 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 71.230000000000004 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 59' ' ' ILE . 7.3 mt -72.07 80.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.33 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' GLU . 37.1 mt-10 -52.78 152.81 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 52.340000000000003 110.323 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.972 ' OE1' HD22 ' A' ' 87' ' ' LEU . 3.4 tp10 -44.1 -26.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 73.340000000000003 110.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.9 mt-10 -62.29 -52.98 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -69.03 -26.29 64.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 74.25 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' OE2' ' A' ' 61' ' ' GLU . 10.4 mt -56.18 -53.48 56.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.287 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 83' ' ' THR . 4.7 ptpt -64.71 -12.46 47.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -101.94 27.32 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 64.219999999999999 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.852 ' HB3' HD21 ' A' ' 78' ' ' LEU . 70.2 t80 -67.73 -7.51 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 44.439999999999998 111.062 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.75 HD22 HD23 ' A' ' 16' ' ' LEU . 13.7 mt -104.84 -27.26 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 73.6 mt-30 -78.16 1.76 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 64.439999999999998 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.9 p-10 -78.97 -49.15 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.833 ' CB ' HD11 ' A' ' 16' ' ' LEU . 95.0 m-85 -85.93 15.16 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.5 111.001 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 21.2 tttt -177.38 139.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.15 72.41 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 71.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 160.12 -25.79 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 70.239999999999995 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -40.05 143.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 72.150000000000006 109.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.83 167.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.200000000000003 110.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.75 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.325 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.852 HD21 ' HB3' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -43.92 165.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 74.530000000000001 109.285 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -76.94 -173.26 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 65.5 110.019 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.68 -24.91 58.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 54.329999999999998 109.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -56.6 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 63.32 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -43.82 -49.14 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.525 HG21 ' HB3' ' A' ' 65' ' ' LYS . 90.1 m -60.56 -34.31 73.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.120000000000005 110.398 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' ALA . 51.7 mttt -67.55 -41.76 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.57 -49.05 70.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 63.219999999999999 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -69.57 -12.72 61.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 73.530000000000001 110.954 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.972 HD22 ' OE1' ' A' ' 61' ' ' GLU . 25.8 tp -83.14 -59.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -68.21 -30.81 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -48.54 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 64.340000000000003 109.325 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.25 -49.84 6.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 33.030000000000001 110.983 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.533 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.7 t0 -69.67 115.23 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 74.439999999999998 109.348 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -100.35 -12.56 19.34 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.681 . . . . 62.130000000000003 109.997 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.2 p-10 -100.47 -11.29 20.29 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.875 -1.059 . . . . 72.430000000000007 109.97 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.8 69.34 0.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.947 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -108.6 -21.47 12.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 0.788 . . . . 74.049999999999997 109.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.46 4.08 15.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 61.439999999999998 111.018 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -145.34 152.12 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 74.140000000000001 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.533 HD11 ' H ' ' A' ' 91' ' ' ASP . 1.4 mt -119.79 119.91 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 109.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.44 -174.57 48.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 73.299999999999997 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -77.8 -36.74 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 65.430000000000007 109.251 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.18 -15.3 62.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 109.271 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -101.95 -35.98 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 17.8 t80 -80.08 -25.36 40.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 73.200000000000003 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.04 -11.95 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.51 -53.74 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.493 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.2 ptm -49.15 -20.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.210000000000001 111.006 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.737 HD11 HG13 ' A' ' 44' ' ' VAL . 1.4 pt -105.45 -39.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 52.530000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 16.0 tttp -66.97 -13.98 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 62.039999999999999 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 42.329999999999998 110.998 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.955 ' CB ' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.311 -0.626 . . . . 73.450000000000003 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.804 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.4 m-85 -77.15 -4.66 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 72.239999999999995 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -15.58 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 45.240000000000002 109.251 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -114.86 -37.45 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 63.439999999999998 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 1.05 HG21 HD11 ' A' ' 50' ' ' ILE . 46.1 t -64.08 -62.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.019999999999996 109.266 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 34' ' ' CYS . 8.7 mt -117.35 -177.34 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -87.42 122.71 31.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.87 -17.79 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -30.67 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.59 -65.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.219999999999999 110.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.7 m -44.13 -38.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 63.32 109.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.1 m -50.49 -50.73 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 64.329999999999998 110.401 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.51 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 44.219999999999999 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -75.95 -20.58 57.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 73.510000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 68' ' ' LEU . 12.5 mt -83.42 -53.13 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.340000000000003 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.84 -16.4 61.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 72.019999999999996 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.06 -3.94 88.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 111.061 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -136.44 25.21 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.012 . . . . 52.229999999999997 108.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -81.56 109.58 16.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.321 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.56 140.28 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.200000000000003 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 59.28 18.3 42.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 111.015 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.648 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -123.67 11.57 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 71.140000000000001 110.003 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 8.1 t80 -88.42 144.58 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 110.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.53 152.33 50.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.530000000000001 109.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 31.7 p-80 -84.19 -62.78 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.62 -45.9 63.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 60.340000000000003 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' ALA . 31.2 mmtp -46.97 -66.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.409999999999997 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t80 -42.4 -62.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.423 ' CD2' HG23 ' A' ' 107' ' ' ILE . 22.2 m-85 -57.9 -23.61 53.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -86.68 -17.47 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.25 109.321 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -84.65 -58.15 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 109.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.875 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.5 p -66.34 -26.96 67.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 71.420000000000002 108.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.08 15.88 37.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 35.530000000000001 110.979 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.875 HD12 ' SG ' ' A' ' 34' ' ' CYS . 1.7 mt -61.56 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 74.120000000000005 109.299 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -56.48 114.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 4.57 54.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 45.200000000000003 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -72.32 -171.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 73.239999999999995 109.339 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -97.38 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.109999999999999 109.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.529 HG23 ' HZ3' ' A' ' 45' ' ' LYS . 1.5 m -52.68 -20.16 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.379 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -65.99 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -62.99 -41.39 99.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.329999999999998 110.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.773 HG13 HD11 ' A' ' 107' ' ' ILE . 55.3 t -47.95 -33.48 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 42.009999999999998 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HZ3' HG23 ' A' ' 41' ' ' THR . 18.7 mttp -75.14 -35.55 61.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 53.340000000000003 109.332 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 5.9 mmmm -75.41 -21.13 58.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 70.120000000000005 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.6 -29.94 41.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 41.25 109.319 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 59' ' ' ILE . 24.6 t80 -74.4 -25.5 59.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 64.200000000000003 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -3.61 33.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 61.310000000000002 109.28 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 6' ' ' VAL . 4.7 mt -83.5 -63.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 74.420000000000002 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.3 mp -53.9 -33.69 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.32 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 3.3 t0 -70.96 102.06 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 52.310000000000002 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.38 -12.9 12.31 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.667 1.699 . . . . 74.540000000000006 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 7.5 p-10 -105.94 8.26 32.45 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.872 -1.061 . . . . 74.230000000000004 109.981 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.2 mmtp 36.44 53.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 63.210000000000001 109.314 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 p -81.71 -27.09 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 107.93 -5.26 34.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 54.049999999999997 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 15.3 m-85 -159.99 -171.78 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 72.420000000000002 111.003 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 59' ' ' ILE . 23.2 mt -124.85 75.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 72.400000000000006 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.0 mp0 -54.74 160.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.049999999999997 110.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -44.61 -32.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.293 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.42 -41.08 80.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.439999999999998 110.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' GLU . 22.6 mt-10 -72.64 -29.12 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 72.439999999999998 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.99 -49.69 76.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 55.009999999999998 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -65.15 -12.36 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 63.109999999999999 109.303 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.07 26.58 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.310000000000002 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 86' ' ' PHE . 86.2 t80 -71.15 -4.33 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.5 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 16' ' ' LEU . 14.4 mt -105.98 -25.99 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 63.030000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 37.4 mt-30 -78.25 1.54 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 42.43 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.471 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 p-10 -80.78 -48.99 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 92.6 m-85 -83.79 11.2 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 72.299999999999997 111.021 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 28.4 tptt -174.99 141.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.28 24.18 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.09 20.24 0.96 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 71.519999999999996 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -78.78 172.74 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 74.030000000000001 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 77' ' ' ALA . 1.4 ppt_? -94.24 179.61 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.400000000000006 110.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.649 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -107.03 150.46 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.310000000000002 109.331 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.9 mm? -73.97 152.6 40.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.030000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' GLU . 29.2 t -60.82 144.95 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 109.977 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.27 -27.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -85.48 -43.4 13.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 109.297 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.487 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 84.1 mt-10 -55.86 -48.38 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 65' ' ' LYS . 51.1 m -65.07 -17.97 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.510000000000005 110.386 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -42.24 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 64.439999999999998 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.95 -46.95 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 62.329999999999998 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' A' ' 67' ' ' PHE . 6.9 t80 -66.1 -17.54 64.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 64' ' ' LEU . 39.7 tp -78.27 -63.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -20.51 62.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 73.040000000000006 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.11 -29.46 69.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 61.439999999999998 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.92 -71.56 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.972 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.507 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.4 t0 -47.0 121.96 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 74.25 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -100.52 -12.47 19.27 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.579 1.656 . . . . 62.329999999999998 109.995 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 10.9 p-10 -101.52 -13.33 17.94 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.886 -1.054 . . . . 74.450000000000003 110.001 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.4 54.39 27.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 61.399999999999999 111.007 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.53 -23.09 16.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 74.319999999999993 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.96 -7.49 16.98 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.469 1.106 . . . . 44.450000000000003 111.0 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -123.87 152.59 42.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 74.510000000000005 109.287 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 HD21 ' A' ' 64' ' ' LEU . 1.9 mt -125.87 107.21 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -165.18 26.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 110.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.26 -38.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 75.409999999999997 109.333 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -17.73 63.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 54.119999999999997 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.17 -39.53 8.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 110.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.404 ' O ' ' HG2' ' A' ' 106' ' ' MET . 42.7 t80 -75.85 -26.15 56.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.77 -10.19 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 71.400000000000006 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.44 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 4.5 ptm -49.66 -20.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 63.200000000000003 110.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.773 HD11 HG13 ' A' ' 44' ' ' VAL . 2.0 pt -104.96 -38.04 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.275 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 45.1 tttt -68.77 -13.77 62.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 64.319999999999993 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 73.319999999999993 110.996 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 1.033 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 70.430000000000007 109.307 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.9 m-85 -53.15 -19.88 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 111.006 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.38 -21.84 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 41.520000000000003 109.314 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -99.41 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 64.5 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 50' ' ' ILE . 11.7 t -63.88 -62.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 74.129999999999995 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 34' ' ' CYS . 13.0 mt -106.29 -176.83 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 ttmp? -89.12 121.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.319 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.2 p30 -47.88 -27.43 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.519999999999996 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.15 -40.28 46.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 53.219999999999999 109.272 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LYS . 35.3 mm-40 -65.68 -54.54 26.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 55.310000000000002 110.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.1 m -61.02 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 62.329999999999998 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -46.54 -52.0 14.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 71.430000000000007 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.85 65.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 62.409999999999997 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -73.3 -25.09 60.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 63.219999999999999 109.251 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.31 -30.52 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 109.253 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.73 -15.9 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 71.099999999999994 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.81 -17.19 52.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 43.009999999999998 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -126.89 23.82 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.307 -0.998 . . . . 63.5 108.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -73.01 -41.99 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 72.129999999999995 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 158.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 64.040000000000006 109.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.4 155.59 27.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 70.200000000000003 109.31 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 42.97 27.32 0.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 62.240000000000002 110.971 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -128.87 11.47 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 64.140000000000001 110.012 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 t80 -86.29 122.99 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 111.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.61 91.66 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.327 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 4.2 p80 -40.08 -61.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 64.019999999999996 109.569 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -40.49 -49.47 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -60.44 -54.21 48.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 1.4 t80 -42.62 -63.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.74 ' CD1' HG23 ' A' ' 107' ' ' ILE . 12.5 m-85 -56.82 -36.78 70.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.519999999999996 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -71.15 -21.1 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 75.129999999999995 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -77.31 -61.92 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 63.350000000000001 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.897 ' HB2' HD13 ' A' ' 7' ' ' LEU . 9.1 p -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.48 -14.07 60.96 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 75.010000000000005 111.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 34' ' ' CYS . 11.8 mt -40.24 -30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 71.340000000000003 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.9 t -70.09 98.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.399999999999999 109.969 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.68 0.95 36.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 51.299999999999997 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -61.5 -176.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 64.150000000000006 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -82.64 137.86 34.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 70.530000000000001 109.998 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 45' ' ' LYS . 1.4 m -59.13 -15.22 13.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.371 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.86 -56.24 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.26 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.3 pt-20 -63.74 -43.96 94.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' SER . 61.9 t -41.86 -43.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.299999999999997 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.618 ' HE3' HG22 ' A' ' 41' ' ' THR . 24.4 mttt -62.35 -46.42 88.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 72.349999999999994 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.6 mtmm -68.08 -20.53 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 109.339 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.99 -17.78 36.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 50.549999999999997 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 59' ' ' ILE . 38.5 t80 -85.4 -34.24 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -10.41 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.033 HG23 ' HB3' ' A' ' 2' ' ' ALA . 6.5 mt -68.84 -63.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.130000000000003 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.7 mp -48.85 -58.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 52.219999999999999 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -40.46 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.319999999999993 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -88.75 -16.81 31.25 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.662 1.696 . . . . 64.420000000000002 110.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 8.3 p-10 -117.56 -20.82 8.85 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.918 -1.039 . . . . 75.120000000000005 110.003 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm 69.86 31.87 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.308 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 p -50.86 -24.25 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 60.409999999999997 109.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 119.0 -20.95 9.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 74.25 111.041 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 25.2 m-85 -143.64 -179.13 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 73.129999999999995 110.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 59' ' ' ILE . 15.3 mt -119.31 77.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 60.229999999999997 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.9 mp0 -49.66 159.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 71.219999999999999 110.342 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLY . 27.9 tt0 -44.51 -44.78 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -58.88 -38.84 79.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.340000000000003 110.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' GLU . 18.6 mt-10 -65.65 -40.48 92.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 98' ' ' ILE . 20.4 mt -52.0 -48.01 64.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.682 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -60.23 -22.22 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.329 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 mt -93.52 27.41 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.254 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 25' ' ' PHE . 59.9 t80 -74.88 -0.46 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.019999999999996 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.3 mt -105.33 -27.03 11.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.57 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 79.3 mt-30 -78.75 1.59 22.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 7.7 p-10 -79.35 -48.48 13.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 73.5 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 95.6 m-85 -86.23 14.7 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 60.219999999999999 110.999 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 8.2 ttmt -176.86 139.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 64.049999999999997 109.303 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.88 14.11 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 62.32 109.3 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.41 28.63 1.93 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 111.025 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -81.09 -174.37 4.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 52.109999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HG3' HD12 ' A' ' 68' ' ' LEU . 12.4 ptt180 -105.57 -170.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 110.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 65' ' ' LYS . . . -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 62.509999999999998 109.255 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.4 mm? -69.41 151.59 45.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 109.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 147.36 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 109.983 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.58 -33.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -78.69 -52.75 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.010000000000005 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 92.3 mt-10 -46.09 -44.87 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 71.230000000000004 110.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 88.4 m -69.93 -27.21 64.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 72.450000000000003 110.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ALA . 11.2 mtmt -71.49 -44.88 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.294 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.09 -46.58 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 53.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CE1' ' CE ' ' A' ' 106' ' ' MET . 6.4 t80 -70.15 -13.14 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' THR . 18.9 tp -84.1 -62.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -63.98 -29.78 70.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.44 -29.46 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.25 109.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.5 -68.32 0.66 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 111.042 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.584 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.8 t0 -56.24 105.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 72.540000000000006 109.24 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -74.56 -30.29 61.67 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.635 1.683 . . . . 74.299999999999997 110.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 14.9 p-10 -89.56 -10.92 44.32 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.883 -1.056 . . . . 61.439999999999998 109.956 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 44.19 55.83 5.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 63.109999999999999 110.999 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -93.22 -22.94 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.769 . . . . 52.539999999999999 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 123.64 -13.97 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 64.140000000000001 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -121.33 143.41 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 74.329999999999998 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 64' ' ' LEU . 2.6 mt -119.28 104.72 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.240000000000002 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -74.8 -163.67 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -82.7 -46.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 73.239999999999995 109.253 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -56.03 -28.5 57.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.5 109.301 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 mt-10 -91.64 -48.05 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 47.3 t80 -59.63 -25.48 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.5 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -87.87 -10.15 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 54.329999999999998 109.292 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -78.05 -54.01 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 71.530000000000001 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.558 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.6 ptm -51.88 -18.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 61.43 111.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 31' ' ' PHE . 1.3 pt -106.97 -34.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 74.319999999999993 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 51.2 tttt -71.57 -15.31 62.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 54.130000000000003 111.03 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.936 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.321 -0.622 . . . . 73.299999999999997 109.321 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.2 m-85 -71.0 -6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.004 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.84 -14.83 37.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 53.409999999999997 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -49.08 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 110.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.94 -62.92 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 64.200000000000003 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD13 ' HB2' ' A' ' 34' ' ' CYS . 2.5 mt -110.24 174.55 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 63.530000000000001 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.24 132.82 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' THR . 52.5 m-20 -53.08 -38.02 62.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 64.109999999999999 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.2 87.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 52.140000000000001 109.284 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.92 -61.47 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 71.409999999999997 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 8.9 m -56.58 -34.79 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.209999999999994 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -50.78 -44.88 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.366 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.04 65.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 72.530000000000001 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.99 -21.19 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 74.109999999999999 109.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -30.92 22.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.420000000000002 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.95 -28.32 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 52.219999999999999 109.296 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 43.119999999999997 111.002 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -126.12 24.15 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.304 -0.999 . . . . 71.239999999999995 108.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -73.8 -22.74 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 62.25 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -84.57 139.87 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 53.210000000000001 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.42 139.54 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 109.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.75 18.47 56.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.977 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 p -111.77 -21.14 11.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 73.319999999999993 109.945 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 1.5 t80 -53.62 136.38 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 62.140000000000001 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 12.4 t0 -138.86 94.08 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 62.399999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.705 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 29.9 p-80 -43.8 -56.69 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.624 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 10.7 ptmt -40.7 -47.72 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.540000000000006 109.313 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 7.2 mmpt? -66.05 -57.3 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 62.310000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 4.5 t80 -39.61 -63.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 9.0 m-85 -51.64 -35.54 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 73.019999999999996 111.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -77.47 -22.23 51.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 70.140000000000001 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.15 -61.88 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 61.020000000000003 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.859 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -61.85 -20.14 63.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.010000000000005 108.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.04 -10.32 60.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 34.119999999999997 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -40.21 -30.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.239999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.6 p -71.8 114.48 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 110.026 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.91 -16.35 60.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -54.8 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 72.319999999999993 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -97.92 138.07 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.998 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.664 HG22 ' HE3' ' A' ' 45' ' ' LYS . 2.8 m -53.38 -19.65 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 62.530000000000001 110.402 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -62.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.2 pt-20 -58.7 -43.18 89.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.705 HG13 HD11 ' A' ' 107' ' ' ILE . 56.1 t -40.47 -50.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 41' ' ' THR . 19.2 mttt -61.25 -52.57 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 109.299 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -57.67 -20.48 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.33 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.1 -37.91 18.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 54.43 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 9.0 t80 -66.26 -20.9 66.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.15 -5.86 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 12.0 mm -75.86 -53.68 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.200000000000003 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.67 -65.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 109.339 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -40.16 103.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -89.13 -15.12 34.61 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 123.634 1.683 . . . . 72.549999999999997 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.8 p-10 -118.52 -3.03 10.93 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.925 -1.036 . . . . 75.129999999999995 109.994 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 41.86 38.08 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 65.319999999999993 109.302 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.0 p -53.6 -20.11 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 72.430000000000007 109.963 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.99 -25.86 6.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 64.400000000000006 111.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 39.5 m-85 -146.11 164.54 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.140000000000001 111.008 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.525 HG13 ' CE2' ' A' ' 48' ' ' PHE . 57.1 mt -98.6 85.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.219999999999999 109.301 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -57.49 160.45 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 73.129999999999995 110.337 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLY . 14.0 tm-20 -47.17 -49.79 21.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 63.200000000000003 110.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -28.64 61.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 71.510000000000005 110.269 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -83.0 -32.51 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.5 110.346 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.919 HD21 HD12 ' A' ' 98' ' ' ILE . 10.0 mt -55.34 -50.75 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 65.030000000000001 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -58.46 -17.25 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.361 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.55 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -94.75 27.46 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.583 ' CG ' ' CE2' ' A' ' 86' ' ' PHE . 25.2 t80 -74.08 -1.16 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.7 mt -118.02 -7.8 10.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 75.030000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.55 ' CD ' HD22 ' A' ' 66' ' ' LEU . 28.4 mt-30 -88.05 1.56 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.6 p30 -85.15 -45.78 11.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 52.3 m-85 -81.72 4.34 22.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 111.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 4.3 tppp? -175.17 151.45 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 72.349999999999994 109.259 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -101.39 22.83 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.07 18.82 1.21 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 74.5 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.5 140.61 29.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 55.420000000000002 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 25' ' ' PHE . 13.8 ptt180 -50.41 -178.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.439999999999998 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.99 122.68 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.257 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.73 134.24 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.129999999999995 109.301 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.5 t -60.62 167.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 109.999 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -19.31 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.312 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.16 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 55.43 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -46.47 -43.63 16.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 64.129999999999995 110.258 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.46 HG23 ' HB3' ' A' ' 64' ' ' LEU . 20.7 m -66.15 -29.66 70.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.392 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ALA . 45.3 mttt -71.2 -41.67 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.89 -48.98 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CE2' ' CG ' ' A' ' 67' ' ' PHE . 8.1 t80 -66.23 -15.67 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 71.549999999999997 111.017 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 64' ' ' LEU . 62.3 tp -84.08 -56.92 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -72.0 -19.92 61.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.705 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -62.21 -39.92 94.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.340000000000003 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.39 -55.17 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 53.32 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 4.5 t0 -56.78 100.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 75.120000000000005 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -94.1 5.55 51.37 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.666 1.698 . . . . 71.129999999999995 110.04 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.79 4.98 8.79 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.938 -1.03 . . . . 72.109999999999999 109.979 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.19 69.99 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 31.440000000000001 111.013 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -111.77 6.97 20.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 75.349999999999994 109.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 72.85 2.51 57.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 63.32 111.025 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 58' ' ' PHE . 7.7 mtpt -133.92 157.11 46.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 63.5 109.341 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.919 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -127.91 105.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 61.140000000000001 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.15 -165.54 15.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.986 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.89 -37.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 74.439999999999998 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -23.88 65.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 13.5 mt-10 -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 40.1 t80 -68.98 -30.49 68.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.012 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.63 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.26 -7.54 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.120000000000005 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.09 -55.32 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE2' ' HE1' ' A' ' 86' ' ' PHE . 4.7 ptm -48.45 -22.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 72.25 111.022 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.705 HD11 HG13 ' A' ' 44' ' ' VAL . 4.0 pt -102.17 -40.88 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 29.1 ttpt -64.78 -15.39 61.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.140000000000001 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 110.997 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.301 -0.629 . . . . 73.129999999999995 109.301 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -53.72 -19.0 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.400000000000006 111.013 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.73 -20.81 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.340000000000003 109.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.65 -49.7 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 70.129999999999995 109.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.21 -62.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 74.010000000000005 109.299 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 3' ' ' PHE . 4.7 mt -99.64 -176.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 25.4 tptt -90.06 121.29 32.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.140000000000001 109.351 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -46.71 -38.59 10.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.42 81.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 54.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 23.9 mt-10 -65.73 -58.19 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 74.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 m -61.19 -37.63 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 109.296 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.2 m -50.72 -53.79 28.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 62.420000000000002 110.386 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -27.82 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 75.299999999999997 109.304 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -72.65 -29.75 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 65.239999999999995 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 71' ' ' PHE . 9.0 mt -77.58 -46.24 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 73.140000000000001 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -70.76 -32.14 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.68 -12.77 35.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.83 31.03 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 62.149999999999999 108.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -65.25 -16.05 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 61.020000000000003 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.605 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -97.18 170.67 8.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.88 137.64 41.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 51.140000000000001 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.8 -8.88 64.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 42.409999999999997 110.993 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.605 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 44.6 p -102.85 17.67 23.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.329999999999998 110.036 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.5 t80 -92.59 128.74 38.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.409999999999997 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.7 t0 -136.17 95.09 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.501 ' NE2' ' CB ' ' A' ' 89' ' ' ALA . 46.3 p-80 -40.05 -58.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 109.652 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -40.53 -51.48 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 24.6 mmtp -61.98 -60.56 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 70.409999999999997 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -39.22 -63.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 71.209999999999994 111.02 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 45.4 m-85 -58.76 -26.9 64.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 65.140000000000001 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.1 mttt -79.76 -21.4 44.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.150000000000006 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.33 -61.9 1.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 62.32 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -62.62 -19.39 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 63.200000000000003 108.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 97.37 -6.88 63.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.137 . . . . 74.049999999999997 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 7' ' ' LEU . 9.7 mt -40.49 -29.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 53.420000000000002 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 35' ' ' GLY . 2.5 p -66.35 -52.57 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 63.140000000000001 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.8 2.42 88.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 61.399999999999999 111.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -69.01 177.72 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -87.91 137.91 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.25 109.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -56.69 -17.07 7.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 110.394 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -68.97 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.7 pt-20 -54.46 -39.92 67.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 110.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 79.2 t -42.9 -49.74 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.319999999999993 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -55.94 -41.7 75.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 75.25 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.0 mtpt -68.11 -30.63 69.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 63.130000000000003 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.494 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -70.1 -40.44 74.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 48' ' ' PHE . 2.8 t80 -55.79 -22.84 26.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.57 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 73.439999999999998 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.2 mm -51.64 -55.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.299999999999997 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -66.59 -70.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.239999999999995 109.309 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.84 103.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -77.26 -12.98 60.01 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.634 1.683 . . . . 73.219999999999999 110.315 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.498 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 2.5 p30 -119.14 -34.13 3.95 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.891 -1.052 . . . . 74.310000000000002 109.985 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CD ' ' C ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 67.13 56.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 61.32 109.32 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -71.62 -22.9 61.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 110.008 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.25 -26.65 3.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 60.509999999999998 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.78 158.08 44.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 64.319999999999993 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 63' ' ' GLU . 32.6 mt -95.86 82.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 109.276 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 156.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.25 110.298 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -48.89 -25.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 63.43 110.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.52 -39.79 81.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 110.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 59' ' ' ILE . 5.4 mt-10 -73.44 -39.13 65.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 87' ' ' LEU . 12.2 mt -48.96 -46.37 43.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 61.420000000000002 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.9 -27.34 67.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 64.400000000000006 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 11.5 mt -92.89 26.73 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -70.68 -4.9 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.349999999999994 110.964 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.1 mt -103.8 -21.06 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 72.310000000000002 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -79.44 1.69 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 110.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.65 ' HB3' HG23 ' A' ' 51' ' ' ILE . 10.1 p-10 -81.33 -46.41 14.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CB ' HD11 ' A' ' 16' ' ' LEU . 21.7 m-85 -83.0 8.92 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 62.43 110.983 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 10.2 tttm -177.78 143.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 63.539999999999999 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.77 31.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.306 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.94 27.46 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.99 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -83.93 172.24 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 62.329999999999998 109.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.697 ' HG3' HD12 ' A' ' 68' ' ' LEU . 8.3 ptt180 -76.75 -172.81 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 61.140000000000001 110.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.41 122.52 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm? -48.38 166.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -100.53 173.69 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.310000000000002 109.979 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -58.3 -18.28 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.328 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.13 -66.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -46.81 -54.53 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 110.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -56.15 -33.53 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 110.403 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 10.8 mtpt -68.95 -41.22 78.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.25 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.25 -35.25 77.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.317 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 t80 -84.47 -17.99 37.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.999 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 64' ' ' LEU . 58.3 tp -81.54 -49.99 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -21.52 63.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . . . -60.58 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.261 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 -64.43 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 3.8 t0 -45.01 121.49 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 64.510000000000005 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.43 -54.32 3.43 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.629 1.681 . . . . 73.420000000000002 110.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.07 10.76 11.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.903 -1.046 . . . . 63.350000000000001 110.023 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 38.15 69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 33.229999999999997 111.024 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -103.79 15.38 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.530000000000001 109.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.23 13.32 76.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 54.100000000000001 111.048 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -143.93 151.87 40.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.129999999999995 109.264 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 64' ' ' LEU . 3.5 mt -126.07 114.93 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.519999999999996 109.308 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.83 176.07 54.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 111.012 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -70.39 -38.27 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 74.129999999999995 109.306 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -22.5 66.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.74 -29.6 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 72.319999999999993 110.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -80.07 -26.78 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.595 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -85.89 -15.1 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 65.540000000000006 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.52 -51.07 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 62.340000000000003 109.315 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.51 -18.18 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 27.3 pt -101.03 -45.51 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 70.299999999999997 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.41 60.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 63.039999999999999 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 63.039999999999999 111.014 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.319 -0.623 . . . . 52.210000000000001 109.319 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.987 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.0 m-85 -58.73 -15.07 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.430000000000007 110.985 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.75 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.325 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -94.12 -43.93 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 63.119999999999997 109.971 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.62 -62.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 70.310000000000002 109.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.27 -176.56 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 123.92 33.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.316 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -62.47 -15.87 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.239999999999995 109.299 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.11 -19.16 32.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 45.240000000000002 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' THR . 46.5 mt-10 -87.79 -65.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.430000000000007 110.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.657 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 m -44.34 -28.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -45.6 -51.03 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 73.510000000000005 110.379 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.86 -31.45 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 64.340000000000003 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.758 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -74.38 -24.18 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.58 -33.69 23.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.77 -17.46 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 72.099999999999994 109.268 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -70.39 -5.04 53.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 71.530000000000001 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 p -137.67 22.26 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 43.340000000000003 108.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -56.97 -20.18 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 63.210000000000001 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 147.88 22.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.5 155.29 31.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.357 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.83 23.14 2.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 111.039 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.2 19.42 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.340000000000003 110.031 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 16.6 t80 -85.27 136.37 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 110.991 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 70.8 m-20 -126.76 111.65 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 63.420000000000002 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.619 ' CD2' ' N ' ' A' ' 28' ' ' LYS . 2.9 p-80 -66.39 -58.15 5.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.581 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.619 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 13.7 ptmt -44.12 -48.75 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 73.129999999999995 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.6 ' HZ2' ' HD3' ' A' ' 28' ' ' LYS . 1.5 mptt -61.47 -51.83 67.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 71.239999999999995 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.758 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 1.6 t80 -44.68 -64.2 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.983 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.7 m-85 -47.84 -28.34 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 111.012 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLY . 4.3 tmtt? -75.16 -61.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 55.030000000000001 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.11 23.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.239999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.657 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 m -87.92 -24.79 23.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 73.340000000000003 108.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . 98.21 -19.28 55.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 63.109999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt -45.56 -56.0 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 73.5 109.249 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t -58.23 102.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 71.019999999999996 110.048 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.67 -26.71 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 51.539999999999999 110.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.52 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 55.530000000000001 109.298 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -89.02 138.18 31.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 45.25 109.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -58.16 -16.02 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.48 -60.69 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 65.430000000000007 109.318 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.8 pt-20 -58.7 -39.31 80.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 110.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.76 HG11 ' CB ' ' A' ' 104' ' ' ALA . 36.6 t -40.33 -48.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.030000000000001 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 43.5 mttt -60.03 -47.3 86.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 72.420000000000002 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.3 mtpt -64.0 -20.61 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.326 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -81.45 -33.92 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 50.439999999999998 109.272 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 59' ' ' ILE . 28.7 t80 -67.59 -20.71 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.040000000000006 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.888 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -85.78 -3.57 58.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 70.329999999999998 109.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.987 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.4 mm -83.37 -54.28 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 53.130000000000003 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.1 mt -65.36 -45.51 93.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 75.409999999999997 109.356 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' CZ ' ' A' ' 48' ' ' PHE . 2.7 m-20 -66.35 103.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.430000000000007 109.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -97.23 -12.84 22.49 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.657 1.694 . . . . 62.299999999999997 110.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.5 p30 -104.61 -10.65 17.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.901 -1.047 . . . . 71.219999999999999 109.992 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.888 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 3.8 mmmt 40.03 52.66 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 71.120000000000005 109.322 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -31.06 51.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 53.310000000000002 110.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.09 -55.65 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 64.019999999999996 110.949 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -126.73 138.84 53.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 73.099999999999994 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 48' ' ' PHE . 86.8 mt -75.74 91.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -60.59 161.39 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 70.219999999999999 110.281 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 64' ' ' LEU . 84.1 tt0 -52.35 -25.99 11.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 110.279 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -73.88 -31.28 63.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 66' ' ' LEU . 45.1 mt-10 -88.58 -12.93 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 72.109999999999999 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 98' ' ' ILE . 8.8 mt -66.46 -48.22 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 53.520000000000003 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -61.74 -14.59 33.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 109.282 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 65' ' ' LYS . 7.6 mt -92.71 27.45 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 87.6 t80 -76.88 1.82 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 72.310000000000002 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 30' ' ' PHE . 33.6 mt -117.98 -7.82 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 80.6 mt-30 -88.96 1.68 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.299999999999997 110.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.7 p30 -84.81 -45.63 12.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 73.25 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 70' ' ' ASN . 52.3 m-85 -81.57 5.57 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 63.030000000000001 111.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 2.3 ttmt 179.51 158.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.57 25.49 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.92 13.83 2.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 53.140000000000001 111.011 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.49 141.99 28.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 64.010000000000005 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.86 -173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 73.019999999999996 110.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -128.28 126.68 41.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 109.293 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.638 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.8 mm? -46.94 145.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 81' ' ' ALA . 26.8 t -65.78 149.84 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 110.034 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.67 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 75.230000000000004 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -81.68 -56.26 4.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.69 -26.05 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 64' ' ' LEU . 8.0 m -87.22 -28.97 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.230000000000004 110.41 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' ALA . 25.1 mttp -57.95 -49.32 77.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.120000000000005 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.905 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.13 -16.3 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 70.450000000000003 109.29 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -84.95 -19.98 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 53.509999999999998 111.005 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 98' ' ' ILE . 57.4 tp -83.75 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 62.219999999999999 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -57.68 -18.94 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.905 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.94 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -87.11 -49.0 4.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 71.219999999999999 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' LEU . 24.8 t0 -60.21 84.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -72.62 -54.65 8.51 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.657 1.694 . . . . 42.539999999999999 110.026 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 6.9 p30 -60.47 -21.24 62.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.923 -1.037 . . . . 50.420000000000002 109.996 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 48.12 70.25 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 60.130000000000003 110.99 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.3 -17.74 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 73.329999999999998 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.441 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 121.73 5.36 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 111.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 5.8 mtmm -150.82 -179.47 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 62.520000000000003 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 64' ' ' LEU . 2.2 mt -135.3 107.07 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.150000000000006 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.22 -162.42 35.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.569 1.168 . . . . 41.329999999999998 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.488 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.44 -51.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 73.200000000000003 109.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.1 -27.88 15.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.305 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 32.0 mt-10 -88.31 -45.28 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 110.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' MET . 46.5 t80 -59.22 -29.64 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 110.958 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.76 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.63 -7.19 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.310000000000002 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -82.17 -54.63 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.467 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 3.6 ptm -52.08 -22.96 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 52.310000000000002 111.044 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 104' ' ' ALA . 20.2 pt -96.55 -43.65 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.51 -18.0 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 70.109999999999999 111.013 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 62.229999999999997 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.125 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.5 m-85 -52.84 -19.61 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 110.957 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.571 ' HB1' ' OD2' ' A' ' 9' ' ' ASP . . . -53.16 -21.26 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.109999999999999 109.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -98.62 -45.22 6.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 71.530000000000001 109.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.66 -62.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.261 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 34' ' ' CYS . 2.4 mt -105.87 -177.23 3.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -85.92 128.92 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 74.420000000000002 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.571 ' OD2' ' HB1' ' A' ' 4' ' ' ALA . 2.0 m-20 -55.14 -33.01 62.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 62.229999999999997 109.343 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.05 -23.55 55.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.1 mt-10 -79.04 -51.17 9.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 70.329999999999998 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.649 HG12 ' SG ' ' A' ' 34' ' ' CYS . 12.2 m -68.31 -33.09 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 70.329999999999998 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -54.58 -50.6 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.38 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -19.63 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.030000000000001 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -86.72 -28.91 22.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 71' ' ' PHE . 8.7 mt -75.06 -34.05 61.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 61.329999999999998 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.35 -20.19 32.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 109.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -8.2 48.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.011 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 3.9 m -136.56 27.91 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.281 -1.007 . . . . 72.349999999999994 108.281 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -55.75 -45.21 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 74.109999999999999 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.02 -174.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 65.430000000000007 109.272 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.93 133.48 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 63.240000000000002 109.254 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.13 -14.67 52.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 64.540000000000006 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -6.93 57.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 55.350000000000001 110.039 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.2 t80 -52.37 125.05 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 65.319999999999993 111.001 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -129.71 82.15 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.439999999999998 109.338 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 86' ' ' PHE . 11.0 p-80 -40.04 -62.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.540000000000006 109.563 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 10.7 pttp -40.79 -52.54 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 28.4 mmtp -56.16 -45.34 79.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 t80 -53.23 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 74.200000000000003 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 85.1 m-85 -58.53 -29.03 66.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 71.5 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.12 -19.22 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 72.030000000000001 109.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.13 -57.8 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 7' ' ' LEU . 7.8 t -65.32 -26.9 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 108.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 103.99 -5.57 46.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 71.239999999999995 111.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 6.8 mt -45.57 -28.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 70.329999999999998 109.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 p -66.0 -43.44 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 71.200000000000003 109.984 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -93.38 6.58 75.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 54.049999999999997 110.981 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 19.4 mmtt -73.38 -178.82 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 72.430000000000007 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 67.1 m -97.52 137.86 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.109999999999999 109.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.032 HG22 ' NZ ' ' A' ' 45' ' ' LYS . 18.4 m -53.57 -19.52 3.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 52.119999999999997 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -63.27 -60.07 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 70.409999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 47' ' ' ALA . 5.9 pt-20 -61.99 -38.28 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 43.140000000000001 110.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.691 HG11 ' CB ' ' A' ' 104' ' ' ALA . 70.9 t -42.66 -48.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 1.032 ' NZ ' HG22 ' A' ' 41' ' ' THR . 22.5 mttp -58.03 -46.38 85.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -67.82 -20.72 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.25 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.95 -33.02 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 53.030000000000001 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CE1' HG13 ' A' ' 59' ' ' ILE . 39.5 t80 -62.79 -21.87 66.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 74.310000000000002 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -18.16 35.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 71.400000000000006 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.125 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.3 mm -64.92 -48.83 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -76.6 -66.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 71.340000000000003 109.268 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -40.01 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 63.340000000000003 109.271 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.4 mt-30 -94.26 -50.9 5.05 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.62 1.676 . . . . 74.129999999999995 110.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 13.2 p30 -62.47 -28.47 69.85 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.888 -1.054 . . . . 75.030000000000001 109.994 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 10.3 mmmm 69.28 23.92 6.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.304 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.41 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 64.049999999999997 109.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.24 -23.55 35.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 111.012 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.61 120.77 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 63.409999999999997 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.954 HG23 ' HB3' ' A' ' 63' ' ' GLU . 64.4 mt -70.34 92.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 65.329999999999998 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' GLU . 11.2 mt-10 -65.01 160.58 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 63.32 110.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HG3' HD22 ' A' ' 87' ' ' LEU . 17.3 tt0 -45.09 -33.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.8 -39.1 84.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 110.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.954 ' HB3' HG23 ' A' ' 59' ' ' ILE . 9.6 mt-10 -68.2 -40.11 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 64.109999999999999 110.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 87' ' ' LEU . 35.2 mt -54.58 -48.28 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 63.340000000000003 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 83' ' ' THR . 13.6 ttmt -60.67 -16.04 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.239999999999995 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.8 27.17 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 70.120000000000005 109.27 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 33.5 t80 -71.33 -4.13 24.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 62.25 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -103.95 -21.96 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 55.0 mt-30 -78.61 2.01 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 51.409999999999997 110.292 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.615 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.4 p-10 -81.3 -48.16 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 30' ' ' PHE . 22.3 m-85 -80.71 6.53 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.450000000000003 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 18.9 tptt -175.36 143.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 62.43 109.3 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.9 23.03 3.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.73 19.42 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 63.25 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.82 167.45 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 50.340000000000003 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.7 ptt180 -79.84 -170.65 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 64.25 110.317 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 65' ' ' LYS . . . -126.09 133.85 51.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 25' ' ' PHE . 2.1 mm? -55.97 163.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.229999999999997 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 33.2 t -76.91 158.74 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -53.5 -23.22 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.27 -56.79 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.039999999999999 109.33 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 5.7 mt-10 -43.76 -48.3 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.519999999999996 110.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 59.7 m -61.03 -33.6 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 74.420000000000002 110.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.842 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.65 -41.84 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 62.530000000000001 109.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.15 -32.44 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 62.549999999999997 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.652 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 5.6 t80 -89.15 -13.6 38.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.340000000000003 111.058 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.842 HD23 ' CE ' ' A' ' 84' ' ' LYS . 25.8 tp -84.21 -45.1 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 71.200000000000003 109.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.85 -33.76 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 54.100000000000001 109.246 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.6 -47.7 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 63.140000000000001 109.316 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.92 -55.82 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.089 . . . . 64.329999999999998 110.998 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.56 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.1 t0 -70.94 113.81 8.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 61.310000000000002 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -100.63 -31.88 11.02 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.010000000000005 109.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 13.3 p-10 -75.16 -12.59 60.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.891 -1.052 . . . . 62.340000000000003 109.976 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 49.36 58.9 7.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 110.994 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -98.78 -23.11 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 53.329999999999998 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.58 -5.97 18.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 54.32 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -134.41 165.03 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 65.109999999999999 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.56 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.3 mt -128.98 108.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.69 -168.91 16.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 62.140000000000001 110.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.56 -51.95 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 72.430000000000007 109.339 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -50.43 -28.39 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.318 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.1 mt-10 -87.16 -44.33 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 28.2 t80 -58.84 -31.51 68.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.691 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.7 -5.64 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 55.020000000000003 109.253 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.67 -54.37 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 32.100000000000001 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.556 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.29 -21.96 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 51.119999999999997 111.032 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 104' ' ' ALA . 17.5 pt -96.96 -43.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.329999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -63.33 -20.62 65.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 32.509999999999998 110.979 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.989 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.312 -0.625 . . . . 71.150000000000006 109.312 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.118 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 m-85 -59.27 -14.84 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 111.024 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.56 -22.37 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 35.509999999999998 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 m -101.18 -39.06 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG12 ' HG ' ' A' ' 7' ' ' LEU . 97.5 t -63.72 -62.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 53.340000000000003 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 34' ' ' CYS . 7.7 mt -110.39 178.22 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.253 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 tppp? -79.87 119.27 22.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -49.51 -29.04 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.200000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.28 55.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 74.010000000000005 109.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mm-40 -70.58 -60.59 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 74.400000000000006 110.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m -53.8 -39.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.4 -52.44 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.520000000000003 110.407 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -25.17 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 73.400000000000006 109.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -76.43 -22.08 55.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 53.109999999999999 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.574 HD23 HD22 ' A' ' 68' ' ' LEU . 9.1 mt -85.16 -42.0 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.262 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.92 -15.72 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 63.420000000000002 109.285 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.8 -23.81 63.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' ' CD1' ' A' ' 25' ' ' PHE . 8.9 t -107.98 -21.48 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.237 -1.023 . . . . 65.200000000000003 108.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -40.39 -29.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 54.109999999999999 109.263 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -69.65 95.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.71 139.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 51.140000000000001 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.28 20.71 58.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 34.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.649 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.2 t -130.22 13.07 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 65.409999999999997 109.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 4.5 t80 -63.17 114.15 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.7 m-20 -113.59 74.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.322 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG3' ' A' ' 28' ' ' LYS . 18.8 p80 -40.12 -50.92 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 65.349999999999994 109.627 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mttm -51.45 -48.68 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 4.6 mmpt? -60.17 -58.44 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 71' ' ' PHE . 1.1 t80 -38.35 -63.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 110.976 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 107' ' ' ILE . 12.9 m-85 -54.5 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 71.439999999999998 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -71.11 -21.91 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 61.340000000000003 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.56 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.949 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.1 p -66.5 -20.39 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 108.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.58 -14.7 59.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 111.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 ' SG ' ' A' ' 34' ' ' CYS . 7.7 mt -40.35 -30.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 75.019999999999996 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 35' ' ' GLY . 7.7 t -68.53 94.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 109.99 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.7 31.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 18.4 mmtt -55.19 -178.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 70.439999999999998 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.848 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -78.17 141.23 38.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.982 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -61.04 -19.46 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 110.383 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -73.32 -60.66 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.030000000000001 109.289 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.6 pt-20 -59.33 -43.76 92.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 53.409999999999997 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 40' ' ' SER . 71.1 t -44.47 -40.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 20.9 mttm -68.73 -41.38 79.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 73.530000000000001 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.8 mmmt -66.19 -21.38 66.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.1 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 63.210000000000001 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 5.6 t80 -66.19 -20.76 66.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 72.239999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.09 -6.89 58.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 72.109999999999999 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.118 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.5 mm -74.04 -52.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 55.420000000000002 109.262 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.6 -52.61 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 74.319999999999993 109.325 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -40.0 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 62.25 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 24.3 mt-30 -94.02 -25.92 17.01 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.64 1.686 . . . . 71.409999999999997 110.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 3.0 p30 -112.08 -9.39 13.97 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.889 -1.053 . . . . 75.349999999999994 109.996 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 54.8 54.94 8.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.309 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -78.23 -5.58 52.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.109999999999999 110.004 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 97.2 -18.94 56.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 61.020000000000003 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 9.0 m-85 -142.97 -175.87 4.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 71.040000000000006 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 59' ' ' ILE . 76.6 mt -129.31 76.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.019999999999996 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.5 mp0 -54.57 156.54 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 64.129999999999995 110.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 64' ' ' LEU . 21.6 tt0 -46.6 -34.9 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 1.2 mp0 -63.17 -37.89 89.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLU . 21.7 mt-10 -83.37 -26.47 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.140000000000001 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 98' ' ' ILE . 11.6 mt -52.71 -51.77 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.873 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 6.3 ptpp? -57.03 -18.31 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 62.229999999999997 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.431 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.2 mt -92.58 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 72.109999999999999 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 76.6 t80 -80.57 6.57 12.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 75.25 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.5 mt -118.06 -7.92 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 62.25 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 41.1 mt-30 -92.13 1.25 57.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.010000000000005 110.262 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.607 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.6 p30 -83.63 -45.33 13.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.229999999999997 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.9 m-85 -82.67 5.56 20.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.519999999999996 111.031 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' GLN . 16.2 tptp -175.12 148.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.48 65.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 61.420000000000002 109.264 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 175.73 -33.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 63.130000000000003 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.47 135.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 64.230000000000004 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptt85 -56.93 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.873 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -120.47 137.15 54.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 73.209999999999994 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.611 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.8 mm? -45.1 148.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 54.439999999999998 109.277 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.439 ' CB ' ' OE2' ' A' ' 82' ' ' GLU . 35.3 t -61.97 -173.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 75.450000000000003 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.42 ' N ' ' OG ' ' A' ' 79' ' ' SER . 7.7 p-10 -73.0 -28.68 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 65.010000000000005 109.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 109.28 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 29.8 mt-10 -50.91 -51.42 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.349999999999994 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -59.8 -27.5 66.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 60.200000000000003 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -73.85 -41.95 61.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 72.439999999999998 109.344 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.37 -43.9 96.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.622 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -74.03 -13.63 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.7 tp -83.2 -64.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 72.010000000000005 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -56.49 -39.79 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -45.36 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 35.43 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -76.36 -63.15 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 4.4 t0 -49.31 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 61.229999999999997 109.269 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -89.83 2.73 54.6 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.63 1.681 . . . . 54.310000000000002 109.994 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -123.67 -1.06 8.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.884 -1.055 . . . . 61.140000000000001 109.991 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.37 70.09 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 53.240000000000002 110.973 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.83 -22.99 13.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 63.539999999999999 109.251 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 116.03 8.55 13.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 21.1 mtmt -150.51 171.48 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 70.010000000000005 109.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.815 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -133.41 104.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.81 -165.36 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.11 -38.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 73.040000000000006 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -18.71 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 91' ' ' ASP . 30.1 mt-10 -99.13 -41.6 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 51.9 t80 -72.08 -27.63 62.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.409999999999997 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.85 -11.03 48.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.4 -54.02 6.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 50.409999999999997 109.309 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.581 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -50.67 -19.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 42.530000000000001 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.696 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.3 pt -106.48 -36.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 62.310000000000002 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 44.3 tttt -71.28 -13.41 61.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.519 1.137 . . . . 60.039999999999999 110.98 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.974 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.316 -0.624 . . . . 63.240000000000002 109.316 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.072 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.6 m-85 -53.2 -19.67 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -95.76 -41.49 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.63 -62.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 60.210000000000001 109.305 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.816 HD13 ' HB2' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -108.82 -178.85 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 72.150000000000006 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -89.57 127.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.420000000000002 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -52.26 -26.23 11.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.61 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.319999999999993 109.332 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LYS . 34.9 mt-10 -71.99 -56.91 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -59.76 -36.14 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 71.219999999999999 109.276 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -53.56 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 110.41 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 31.43 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.4 -19.3 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 63.229999999999997 109.348 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -86.63 -24.86 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 72.219999999999999 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -90.68 -19.4 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.33 -12.79 81.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 51.439999999999998 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -135.45 29.09 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.331 -0.989 . . . . 54.509999999999998 108.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -64.59 -46.44 82.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 63.210000000000001 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 152.4 44.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 63.439999999999998 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.22 151.98 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.129999999999995 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.39 50.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 65.109999999999999 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 p -133.06 17.02 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 0.8 . . . . 62.509999999999998 109.968 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 9.1 t80 -92.54 142.95 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -135.49 89.44 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.276 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 24.6 p80 -39.8 -57.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.631 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 7.5 pttt -44.77 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.109999999999999 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -47.0 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 53.25 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 15' ' ' ALA . 9.6 t80 -38.36 -63.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 72.329999999999998 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 57.4 m-85 -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' LYS . 8.3 ttpt -73.52 -27.01 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -70.39 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.816 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -64.43 -19.51 65.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 60.409999999999997 108.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 96.23 -7.96 66.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 111.011 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' ' 34' ' ' CYS . 6.3 mt -40.05 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 73.299999999999997 109.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' GLY . 59.1 m -69.29 -52.9 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -81.58 -0.03 88.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.1 mmtt -72.54 178.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 72.040000000000006 109.31 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 44' ' ' VAL . 28.7 m -90.27 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 61.140000000000001 109.994 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -54.89 -18.51 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 40.109999999999999 110.381 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -67.06 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.209999999999994 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -57.27 -38.81 74.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 71.430000000000007 110.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 107' ' ' ILE . 52.0 t -40.9 -45.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 43.1 mttt -59.96 -47.58 85.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' GLU . 3.9 mtmt -67.66 -20.42 65.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.18 -39.35 33.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 53.030000000000001 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.7 t80 -66.78 -25.56 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.319999999999993 111.06 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.75 -4.68 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 53.130000000000003 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 ' CD2' ' A' ' 3' ' ' PHE . 9.9 mm -79.1 -47.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 70.140000000000001 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -71.14 -51.29 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.299999999999997 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.37 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.332 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -86.98 -59.32 2.29 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.642 1.686 . . . . 75.420000000000002 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.481 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -74.49 1.94 10.73 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.923 -1.036 . . . . 55.020000000000003 110.023 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp 51.23 57.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.420000000000002 109.258 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -91.17 -9.01 46.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 110.015 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.13 -9.3 64.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 62.310000000000002 111.047 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.73 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 72.239999999999995 110.964 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.451 HG13 ' CE2' ' A' ' 48' ' ' PHE . 65.8 mt -130.37 92.74 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.284 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.24 168.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.420000000000002 110.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 64' ' ' LEU . 10.6 tm-20 -58.03 -40.53 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.51 -37.27 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 53.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 54' ' ' ASP . 33.1 mt-10 -74.54 -28.44 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.239999999999995 110.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.804 HD21 HD12 ' A' ' 98' ' ' ILE . 10.5 mt -54.09 -49.09 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 109.247 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 5.8 ptmt -57.64 -17.79 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 ' NE2' ' A' ' 69' ' ' GLN . 48.8 mt -92.57 27.94 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 50.3 t80 -73.0 -1.13 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.7 mt -115.96 -8.46 11.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 72.140000000000001 109.249 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.646 ' NE2' HD22 ' A' ' 66' ' ' LEU . 44.5 mt-30 -84.95 -1.52 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.617 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 10.6 p30 -85.48 -41.99 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 73.439999999999998 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.753 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 83.1 m-85 -84.55 6.24 24.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.519999999999996 110.989 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -175.16 150.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.150000000000006 109.282 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.81 25.88 6.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 51.420000000000002 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.0 25.89 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 43.32 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.77 -174.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 72.109999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.28 160.78 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 63.299999999999997 110.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -105.3 144.91 31.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 51.299999999999997 109.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 2.2 mm? -73.64 148.21 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 74.319999999999993 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t -64.13 178.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 72.299999999999997 110.023 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 21.5 m-20 -69.73 -35.14 74.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.8 60.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 75.140000000000001 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.57 -48.28 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.8 m -69.63 -18.55 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 61.310000000000002 110.414 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -67.71 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 73.239999999999995 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.82 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.96 -22.2 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 63.229999999999997 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.67 -18.26 60.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 111.024 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 38.5 tp -80.8 -64.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 109.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -63.99 -18.87 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 71.299999999999997 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.45 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 64.540000000000006 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -100.75 -41.22 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 41.32 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 20.6 t0 -62.72 80.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -67.82 -54.62 17.64 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.593 1.663 . . . . 73.430000000000007 109.996 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -67.18 -13.9 62.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.934 -1.031 . . . . 72.219999999999999 109.985 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.49 70.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.09 . . . . 65.400000000000006 111.014 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -13.4 23.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.010000000000005 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' LYS . . . 119.91 7.94 9.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 53.299999999999997 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 51.9 mtmt -152.91 178.66 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 70.140000000000001 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.804 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -136.26 105.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.27 -162.46 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 111.049 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.505 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.24 -49.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 50.109999999999999 109.29 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -54.15 -28.28 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.318 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 37.2 mt-10 -88.86 -45.96 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.200000000000003 110.232 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 43.6 t80 -59.41 -29.14 67.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -6.94 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.349999999999994 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -81.74 -54.85 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 70.430000000000007 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.469 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 4.0 ptm -51.36 -26.27 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.409999999999997 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 44' ' ' VAL . 18.5 pt -92.98 -43.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 65.099999999999994 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.24 -16.14 63.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 62.219999999999999 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 75.5 111.023 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.999 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.278 -0.638 . . . . 44.229999999999997 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 1.091 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.69 -5.59 30.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.952 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.07 -18.01 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -96.48 -47.64 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.959 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.88 -62.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.532 ' CD2' ' CE ' ' A' ' 39' ' ' LYS . 6.2 mt -112.79 171.03 7.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 65.420000000000002 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.6 ttpt -86.98 121.15 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 71.219999999999999 109.336 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 12' ' ' VAL . 22.2 t0 -48.34 -41.42 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 71.340000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.29 73.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 53.530000000000001 109.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 27.8 mm-40 -75.67 -63.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 110.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 26.9 m -54.0 -29.46 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 54.229999999999997 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -49.07 37.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 61.219999999999999 110.421 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.91 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . . . -80.7 -33.16 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 52.109999999999999 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.78 -33.84 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.25 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.29 -18.9 54.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 64.120000000000005 109.308 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.91 -8.5 73.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 72.340000000000003 110.982 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.17 26.07 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.326 -0.99 . . . . 64.420000000000002 108.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 -16.88 53.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.872 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -98.44 102.18 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 53.030000000000001 109.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.82 133.93 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.150000000000006 109.264 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.72 16.89 74.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.872 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 1.5 p -126.68 12.25 7.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 64.200000000000003 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.6 t80 -75.56 136.53 40.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 73.400000000000006 111.019 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 4.2 m-20 -138.87 93.16 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.355 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.633 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 26.5 p80 -39.89 -59.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.299999999999997 109.624 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 26.6 mtmt -43.58 -47.15 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 64.030000000000001 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 6.1 mptt -63.25 -39.49 94.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 3.2 t80 -61.31 -63.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 75.310000000000002 111.01 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.9 m-85 -52.33 -23.11 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 111.026 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -77.36 -51.2 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 55.43 109.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . . . -65.99 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 82.2 m -90.66 -26.17 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 72.540000000000006 108.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.73 -14.37 64.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 44.329999999999998 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 7' ' ' LEU . 12.4 mt -42.52 -28.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.308 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLY . 42.1 t -65.29 -49.21 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 74.150000000000006 110.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -90.07 6.65 82.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 29.3 mmtt -71.23 -179.64 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 73.230000000000004 109.289 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.989 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -87.89 153.35 21.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 61.340000000000003 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.498 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 1.3 m -68.88 -26.55 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.319999999999993 110.409 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.62 -63.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' OE2' ' CG ' ' A' ' 39' ' ' LYS . 6.6 pt-20 -51.72 -36.93 48.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 75.310000000000002 110.307 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 40' ' ' SER . 25.4 t -45.67 -47.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 50.439999999999998 109.335 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.258 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HZ2' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -76.14 -20.93 57.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 44.009999999999998 109.326 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -83.04 -37.26 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 52.509999999999998 109.344 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 10.1 t80 -62.42 -20.94 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 70.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.36 -8.64 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -72.52 -48.93 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 70.109999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.86 -58.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.334 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.579 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 71.6 m-20 -40.17 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 52.030000000000001 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.39 -17.06 33.17 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.629 1.68 . . . . 64.040000000000006 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.4 p-10 -119.96 -14.13 8.95 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.889 -1.053 . . . . 54.509999999999998 109.995 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 20.7 mmtp 61.92 36.96 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 109.304 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.418 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.1 p -56.92 -17.67 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.17 -31.94 6.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.972 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.0 -170.86 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 64.129999999999995 111.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 59' ' ' ILE . 82.3 mt -127.24 77.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 72.530000000000001 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -52.52 165.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 71.239999999999995 110.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -51.93 -41.48 62.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.85 -24.47 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -88.1 -34.25 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 63.229999999999997 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.709 ' CD1' HD13 ' A' ' 87' ' ' LEU . 12.3 mt -52.17 -54.52 29.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 63.340000000000003 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 9.6 ptmm? -53.26 -21.09 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 70.540000000000006 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.475 HD22 ' CD ' ' A' ' 69' ' ' GLN . 39.9 mt -92.76 26.69 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.283 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.726 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 15.3 t80 -77.56 2.35 16.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 70.219999999999999 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 17.2 mt -118.13 -7.75 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.129999999999995 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.475 ' CD ' HD22 ' A' ' 66' ' ' LEU . 42.0 mt-30 -89.4 1.48 55.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.295 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.622 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.4 p30 -86.13 -45.33 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 72.519999999999996 109.341 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD1' ' CD2' ' A' ' 3' ' ' PHE . 51.0 m-85 -83.27 9.49 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 73.129999999999995 111.02 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -179.06 154.85 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 109.3 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.17 27.28 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 65.140000000000001 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.81 20.79 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 51.43 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -92.45 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 73.510000000000005 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -57.97 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -123.25 137.55 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 68' ' ' LEU . 2.5 mm? -53.07 140.49 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.200000000000003 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 82' ' ' GLU . 32.0 t -61.13 164.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 53.539999999999999 109.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -26.25 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 64.109999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -54.5 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . 18.1 mt-10 -44.99 -43.16 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 64.510000000000005 110.342 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 64' ' ' LEU . 21.3 m -67.0 -32.53 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 74.030000000000001 110.367 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.9 mtmt -66.37 -40.84 89.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 73.340000000000003 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.95 -48.38 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.209999999999994 109.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.726 ' CE1' ' CG ' ' A' ' 67' ' ' PHE . 10.2 t80 -70.81 -13.72 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 64' ' ' LEU . 38.4 tp -83.94 -56.58 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 63.420000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -25.3 64.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.32 109.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.633 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.72 -60.16 1.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 60.32 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.8 t0 -61.44 120.69 10.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 63.140000000000001 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 t -100.44 -14.86 18.13 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.652 1.691 . . . . 63.130000000000003 110.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 12.5 p-10 -98.62 -13.8 20.18 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 114.935 -1.029 . . . . 65.400000000000006 109.996 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 50.15 67.96 1.62 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 73.299999999999997 111.011 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -110.16 -23.01 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 71.109999999999999 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.39 -2.1 18.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 70.329999999999998 111.012 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -131.62 146.65 52.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 64.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -118.96 108.03 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 62.100000000000001 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.36 -163.94 16.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.457 1.098 . . . . 63.399999999999999 110.98 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -83.93 -37.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 62.109999999999999 109.269 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -16.07 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 52.109999999999999 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -102.51 -36.98 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.409999999999997 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 107' ' ' ILE . 57.3 t80 -78.03 -24.89 47.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.615 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -88.96 -13.31 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 61.049999999999997 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.77 -50.41 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 61.149999999999999 109.336 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.591 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.1 ptm -54.97 -15.47 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 72.25 111.041 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.771 HG23 ' CD1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -109.03 -32.91 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -54.39 -41.36 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 74.299999999999997 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 64.109999999999999 110.989 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.664 ' H1 ' ' N ' ' A' ' 73' ' ' ALA . 69.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.977 -0.379 . . . . 72.420000000000002 109.977 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.6 mtm -68.69 77.62 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 64.430000000000007 111.039 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.964 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.19 -56.33 3.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 74.019999999999996 109.308 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.03 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.2 m-85 -52.1 -21.11 2.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 73.310000000000002 111.013 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.09 -23.55 2.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.291 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -82.77 -51.21 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 74.549999999999997 109.959 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -64.11 -62.77 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 54.539999999999999 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.016 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -104.54 -176.52 3.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 61.130000000000003 109.31 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -83.72 121.83 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.344 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -53.2 -31.56 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 70.209999999999994 109.31 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.16 -29.24 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 74.140000000000001 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -72.18 -58.47 3.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 71.200000000000003 110.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.85 -30.48 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 54.520000000000003 109.293 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -50.66 -55.17 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 71.120000000000005 110.362 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.02 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 63.140000000000001 109.294 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.89 -18.32 44.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.301 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.809 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.8 mt -90.25 -29.43 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 74.400000000000006 109.279 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -84.27 -17.09 40.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 72.030000000000001 109.333 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.86 -14.87 81.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 111.023 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' C ' ' N ' ' A' ' 21' ' ' ALA . 9.3 p -108.45 -20.17 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.255 -1.017 . . . . 55.399999999999999 108.255 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -40.35 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 70.310000000000002 109.265 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -73.49 117.16 14.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 64.120000000000005 109.293 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' SER . . . -50.64 149.37 3.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 71.109999999999999 109.288 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 39.47 29.55 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.733 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.5 t -125.6 2.78 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.966 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 23.5 t80 -65.67 125.35 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 72.549999999999997 111.037 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 1.3 m-20 -123.52 82.35 2.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 70.310000000000002 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 26.1 p-80 -40.22 -56.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.439999999999998 109.572 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 50.2 mttt -43.2 -51.09 6.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 63.530000000000001 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HZ2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -62.49 -38.04 88.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 109.295 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.788 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 1.6 t80 -59.62 -63.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 63.310000000000002 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CG2' ' A' ' 107' ' ' ILE . 12.0 m-85 -56.99 -36.91 70.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 71.099999999999994 110.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -73.16 -25.12 60.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.245 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -72.13 -61.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 51.530000000000001 109.347 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.016 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.7 p -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 108.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.11 -9.74 59.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.975 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' PHE . 10.8 mt -40.38 -38.31 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 70.010000000000005 109.311 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -71.57 117.77 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 73.030000000000001 110.017 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.81 -22.08 41.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 64.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -54.27 -171.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 74.340000000000003 109.299 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 m -82.91 140.66 32.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 44.240000000000002 109.968 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m -66.21 -9.68 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 75.129999999999995 110.389 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -78.98 -55.12 5.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 63.329999999999998 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.5 pt-20 -58.33 -40.66 82.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 73.209999999999994 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -46.59 -50.84 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 63.130000000000003 109.303 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 45.6 mttm -54.24 -32.19 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.27 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 14.9 mmmt -80.1 -24.16 40.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.540000000000006 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -82.29 -21.56 36.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 109.283 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 59' ' ' ILE . 30.4 t80 -72.58 -20.77 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 75.230000000000004 110.96 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.12 -44.59 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 32.340000000000003 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.03 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.9 mm -41.31 -47.59 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 75.109999999999999 109.262 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 mt -70.88 -61.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.25 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -40.38 103.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 52.420000000000002 109.327 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 26.6 mt-30 -95.2 -23.49 17.24 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.639 1.685 . . . . 74.519999999999996 110.273 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.1 p-10 -113.15 3.97 16.33 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 117.857 -1.068 . . . . 73.430000000000007 109.962 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 41.09 49.48 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 109.314 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 p -74.0 -4.62 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 73.439999999999998 109.98 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 96.16 -28.31 13.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.146 . . . . 74.310000000000002 111.055 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.415 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 12.9 m-85 -136.89 177.98 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 75.239999999999995 110.985 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 59' ' ' ILE . 36.5 mt -118.83 76.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.240000000000002 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -47.5 163.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 74.099999999999994 110.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' HD12 ' A' ' 64' ' ' LEU . 34.5 tt0 -55.22 -24.67 28.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 73.430000000000007 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -78.95 -25.6 43.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.275 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -86.0 -26.4 25.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 52.219999999999999 110.259 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.831 ' CD1' HD13 ' A' ' 87' ' ' LEU . 11.4 mt -54.86 -50.67 68.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 72.5 109.273 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 8.4 ptpp? -60.4 -15.87 30.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 53.100000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.8 mt -92.82 27.36 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 74.150000000000006 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.534 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 53.7 t80 -81.42 7.4 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 110.991 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.9 mt -118.53 -7.64 10.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' LYS . 38.0 mt-30 -91.86 1.67 57.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 72.430000000000007 110.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.59 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.9 p30 -83.53 -45.49 13.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 61.399999999999999 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.809 ' CB ' HD11 ' A' ' 16' ' ' LEU . 71.9 m-85 -82.84 6.13 19.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.109999999999999 110.969 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.5 OUTLIER -177.28 151.35 0.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 109.297 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.664 ' N ' ' H1 ' ' A' ' 0' ' ' SER . . . -103.09 64.56 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 64.150000000000006 109.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 177.51 -34.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 52.329999999999998 110.99 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.61 139.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 53.329999999999998 109.275 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -56.74 -170.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 73.409999999999997 110.29 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -127.13 133.37 50.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 62.100000000000001 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 25' ' ' PHE . 1.8 mm? -40.28 147.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 53.530000000000001 109.327 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -60.15 -176.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 53.409999999999997 109.962 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.98 -29.67 66.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 63.240000000000002 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -86.95 -50.55 6.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 63.530000000000001 109.276 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -46.3 -45.35 17.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 62.310000000000002 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.2 m -68.3 -27.79 66.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 70.319999999999993 110.432 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ALA . 18.4 mttm -71.34 -45.83 62.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 74.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.39 -48.8 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 72.010000000000005 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 27' ' ' HIS . 7.0 t80 -64.93 -13.6 57.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 64.430000000000007 110.959 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.831 HD13 ' CD1' ' A' ' 64' ' ' LEU . 49.7 tp -84.15 -64.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 74.409999999999997 109.296 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -23.27 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 74.530000000000001 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -68.97 -28.69 66.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 62.030000000000001 109.308 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -110.81 -69.87 0.6 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 42.329999999999998 111.02 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.57 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.6 t0 -48.65 119.59 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 71.129999999999995 109.271 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 m -100.6 4.16 43.15 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 123.637 1.684 . . . . 70.129999999999995 110.032 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.4 p-10 -123.85 -9.6 7.77 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.948 -1.025 . . . . 62.509999999999998 109.994 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.05 63.28 2.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 74.019999999999996 110.966 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -103.06 -22.94 13.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 64.430000000000007 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.96 5.74 11.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 70.409999999999997 110.946 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -143.86 154.89 43.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 73.310000000000002 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.74 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -126.97 104.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.439999999999998 109.326 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.54 -170.05 8.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 61.439999999999998 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -76.4 -52.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 63.020000000000003 109.271 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.75 -29.21 10.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 73.120000000000005 109.312 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -86.36 -36.28 19.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 110.26 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.424 ' CE2' HG13 ' A' ' 44' ' ' VAL . 53.3 t80 -66.12 -31.92 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 75.420000000000002 111.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.4 -3.78 59.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 72.430000000000007 109.346 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.83 -53.98 4.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 64.109999999999999 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.555 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.0 ptm -53.23 -19.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 45.020000000000003 110.947 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.788 HD11 HG11 ' A' ' 44' ' ' VAL . 17.8 pt -100.41 -44.03 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 109.248 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -61.41 -22.7 65.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 65.230000000000004 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.984 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.015 -0.365 . . . . 73.409999999999997 110.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 41.9 ttm -96.17 132.05 42.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 111.065 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . -84.49 -53.55 5.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 63.340000000000003 109.285 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.846 ' CD2' HD12 ' A' ' 7' ' ' LEU . 8.1 m-85 -53.08 -19.37 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 70.540000000000006 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 1' ' ' MET . . . -42.77 -28.24 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 72.120000000000005 109.329 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 t -102.38 -44.17 5.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 71.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.5 t -63.59 -63.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 73.209999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' CD2' ' A' ' 3' ' ' PHE . 32.4 mt -107.16 -176.26 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 71.019999999999996 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' O ' HG13 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -89.2 111.94 22.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 64.109999999999999 109.288 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 8.5 p-10 -57.75 -17.68 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 70.439999999999998 109.323 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -85.96 -29.2 23.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.271 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.6 mm-40 -86.8 -60.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 71.219999999999999 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 8' ' ' LYS . 4.5 m -39.06 -51.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 75.319999999999993 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -48.39 -51.21 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 73.310000000000002 110.406 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -59.53 -34.03 72.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.329999999999998 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -73.85 -24.68 59.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.796 HD11 ' CB ' ' A' ' 71' ' ' PHE . 7.6 mt -74.55 -43.28 56.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 73.200000000000003 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.94 -17.0 60.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 53.520000000000003 109.299 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.94 -4.03 61.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.448 1.092 . . . . 52.43 110.996 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -138.82 25.15 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 71.310000000000002 108.301 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -60.26 -46.88 88.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 72.319999999999993 109.286 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.99 120.56 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 71.010000000000005 109.333 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.33 140.68 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 109.303 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.64 -24.56 16.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 63.009999999999998 111.002 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 p -98.14 14.83 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 63.329999999999998 109.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.447 ' CD2' HD11 ' A' ' 78' ' ' LEU . 2.2 t80 -89.99 146.65 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 64.310000000000002 111.031 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.9 m-20 -144.43 128.78 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.340000000000003 109.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' CB ' ' CE1' ' A' ' 86' ' ' PHE . 15.7 p80 -69.41 -62.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 55.299999999999997 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mtmm -47.55 -39.23 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 75.030000000000001 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.5 mmtt -66.35 -55.02 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 55.109999999999999 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 4.9 t80 -43.47 -63.06 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 111.027 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.8 m-85 -52.12 -26.66 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 64.439999999999998 111.012 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -86.33 -24.16 25.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.61 -28.07 31.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 2.7 m -94.17 -27.13 16.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 75.150000000000006 108.328 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 106.69 -13.46 42.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 62.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.717 ' HG ' HD11 ' A' ' 7' ' ' LEU . 7.5 mt -41.44 -29.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 74.299999999999997 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.1 t -65.54 -51.42 59.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 110.03 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.35 5.0 82.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 44.020000000000003 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HE2' HD23 ' A' ' 7' ' ' LEU . 20.0 mmtt -76.84 -175.36 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 64.120000000000005 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.608 ' O ' HG23 ' A' ' 44' ' ' VAL . 74.2 m -99.53 147.33 25.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 72.239999999999995 110.012 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -12.74 25.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 73.450000000000003 110.396 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 109.275 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.4 pt-20 -54.27 -38.14 65.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 74.310000000000002 110.307 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 HD11 ' A' ' 107' ' ' ILE . 79.7 t -47.55 -45.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 64.319999999999993 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HG2' HD12 ' A' ' 100' ' ' ILE . 47.1 mttm -60.02 -31.55 70.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 53.109999999999999 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -85.68 -20.53 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 65.519999999999996 109.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -83.62 -12.19 56.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 74.239999999999995 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 70.2 t80 -80.12 -21.63 43.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 110.95 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.595 ' HB1' ' HE2' ' A' ' 55' ' ' LYS . . . -86.37 -28.67 23.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 73.310000000000002 109.307 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.881 HD12 ' CB ' ' A' ' 2' ' ' ALA . 30.8 mm -56.65 -45.63 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.167 . . . . 73.319999999999993 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 6.7 mt -69.93 -65.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.282 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.53 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m-20 -44.24 103.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 72.049999999999997 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 28.8 mt-30 -84.62 -16.57 41.58 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.693 1.711 . . . . 73.230000000000004 110.326 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.451 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.7 p30 -118.3 -6.61 10.8 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.897 -1.049 . . . . 65.140000000000001 109.977 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.595 ' HE2' ' HB1' ' A' ' 49' ' ' ALA . 0.0 OUTLIER 49.55 55.8 8.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.3 -179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.451 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.4 p -74.44 -11.38 60.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.008 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.39 -17.43 40.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 51.25 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -141.83 -175.43 4.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 111.038 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 11.7 mt -126.89 79.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 71.049999999999997 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -49.45 166.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 73.540000000000006 110.299 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.86 -33.0 74.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 74.329999999999998 110.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -73.95 -20.96 60.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 110.242 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 66' ' ' LEU . 12.1 mt-10 -94.47 -17.72 22.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 63.310000000000002 110.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.45 -46.04 91.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.289 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 0.6 OUTLIER -62.82 -14.06 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 63.439999999999998 109.294 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.854 HD22 ' NE2' ' A' ' 69' ' ' GLN . 13.4 mt -90.33 16.85 7.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 63.329999999999998 109.303 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.766 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -62.97 -12.13 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.209999999999994 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.516 ' HG ' HD21 ' A' ' 78' ' ' LEU . 8.3 mt -100.74 -12.56 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 51.329999999999998 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.854 ' NE2' HD22 ' A' ' 66' ' ' LEU . 29.2 mt-30 -73.97 -2.93 26.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.661 ' HB2' HG22 ' A' ' 50' ' ' ILE . 4.9 p30 -83.7 -45.29 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CB ' HD11 ' A' ' 16' ' ' LEU . 40.0 m-85 -85.68 8.48 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 75.140000000000001 110.961 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 tppt? -175.12 150.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 65.400000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.96 21.09 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 63.439999999999998 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.68 24.48 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 60.229999999999997 111.017 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -69.48 164.6 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 44.340000000000003 109.292 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.82 156.79 28.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 74.219999999999999 110.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 65' ' ' LYS . . . -94.51 136.3 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 52.020000000000003 109.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' HG ' ' A' ' 68' ' ' LEU . 1.7 mm? -70.09 136.91 50.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 54.109999999999999 109.32 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.4 m -61.14 146.18 48.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 75.239999999999995 109.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.5 -30.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 73.129999999999995 109.328 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -68.78 -65.21 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 109.287 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 4.2 mp0 -49.43 -50.52 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.329999999999998 110.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -59.94 -36.91 78.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 60.130000000000003 110.437 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -59.5 -49.92 75.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 75.109999999999999 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.911 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.56 -16.27 62.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 75.310000000000002 109.333 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.649 ' CE1' ' CB ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -82.62 -31.98 28.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 65.439999999999998 111.006 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.5 tp -75.04 -64.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.510000000000005 109.319 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -56.03 -19.72 13.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 61.210000000000001 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.79 -55.21 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.310000000000002 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.73 -57.24 1.26 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.142 . . . . 74.129999999999995 110.971 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.628 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.0 t0 -59.03 119.54 7.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 70.030000000000001 109.329 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -100.56 -17.89 16.87 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-O 123.622 1.677 . . . . 65.310000000000002 110.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 11.9 p-10 -93.3 -15.57 25.65 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.948 -1.025 . . . . 74.540000000000006 109.999 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 53.53 60.2 8.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 42.420000000000002 110.992 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -101.86 -21.41 14.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 73.409999999999997 109.342 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.67 -1.08 29.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.939 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -130.19 149.04 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 54.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.628 HD11 ' H ' ' A' ' 91' ' ' ASP . 3.4 mt -129.68 103.18 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.34 -163.04 1.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.434 1.084 . . . . 71.510000000000005 111.028 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.474 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -82.06 -34.64 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 51.43 109.333 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.5 OUTLIER -68.31 -28.63 67.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 53.310000000000002 109.305 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -87.94 -37.5 16.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 75.099999999999994 110.249 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 106' ' ' MET . 9.1 t80 -72.94 -31.44 64.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 72.450000000000003 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.674 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -3.91 59.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 109.265 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -85.5 -54.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 74.209999999999994 109.303 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.419 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 6.1 ptm -51.45 -20.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 73.040000000000006 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.852 HD11 HG11 ' A' ' 44' ' ' VAL . 11.8 pt -98.36 -43.15 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -66.09 -16.37 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 70.209999999999994 109.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 72.340000000000003 110.996 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.024 -0.361 . . . . 74.209999999999994 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mtt -101.12 84.86 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 72.109999999999999 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.722 ' CB ' HD12 ' A' ' 50' ' ' ILE . . . -84.49 -56.32 3.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 71.530000000000001 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.73 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 9.2 m-85 -48.23 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 64.239999999999995 111.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' CB ' ' OD2' ' A' ' 9' ' ' ASP . . . -43.6 -27.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.308 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 3' ' ' PHE . 3.1 m -100.48 -42.74 6.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.6 -63.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 64.510000000000005 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.679 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.4 mt -114.55 -176.34 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 66.6 mmtt -82.81 122.48 28.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 109.337 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.485 ' OD2' ' CB ' ' A' ' 4' ' ' ALA . 13.2 m-20 -59.59 -21.26 60.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 70.439999999999998 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.78 -19.63 30.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 43.43 109.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 16.3 mm-40 -87.95 -64.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 65.030000000000001 110.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 13' ' ' THR . 13.6 m -40.33 -52.97 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 75.25 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -44.71 -51.35 9.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 64.219999999999999 110.371 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.39 -38.66 69.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 71.200000000000003 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -61.37 -43.1 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 73.409999999999997 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD23 HD22 ' A' ' 68' ' ' LEU . 15.1 mt -55.59 -54.3 45.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 74.150000000000006 109.284 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -63.94 -14.14 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 71.040000000000006 109.301 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.65 -15.53 71.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 71.109999999999999 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -133.32 28.3 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 74.219999999999999 108.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -53.72 -46.43 70.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 109.279 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 149.62 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 71.120000000000005 109.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.71 153.36 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 8.23 48.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.09 . . . . 44.420000000000002 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -123.9 24.94 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 74.430000000000007 109.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 74.2 t80 -75.07 141.13 43.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.109999999999999 110.966 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -144.66 94.14 2.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 74.010000000000005 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 31.6 p80 -61.21 -59.42 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 75.349999999999994 109.568 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' ' ND1' ' A' ' 27' ' ' HIS . 5.4 pttt -40.02 -59.93 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.340000000000003 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.1 mptp? -53.83 -54.13 42.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 63.100000000000001 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' CD1' ' SG ' ' A' ' 34' ' ' CYS . 5.1 t80 -41.61 -63.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 70.439999999999998 111.0 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.792 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.4 m-85 -52.14 -25.75 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 70.329999999999998 111.012 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 12.3 mmtt -87.54 -23.93 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 109.325 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -81.01 -31.61 34.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 43.310000000000002 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.554 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 m -89.35 -27.18 20.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 75.5 108.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 106.79 -13.98 41.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 111.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.679 ' HG ' HD11 ' A' ' 7' ' ' LEU . 2.6 mt -40.47 -30.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 0.772 . . . . 63.450000000000003 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.471 ' CB ' ' HG2' ' A' ' 32' ' ' LYS . 1.5 t -69.38 -59.2 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 73.239999999999995 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.61 -5.71 69.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 52.200000000000003 111.013 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HE2' ' CD2' ' A' ' 7' ' ' LEU . 15.2 mmtt -69.04 -174.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 64.430000000000007 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.2 m -98.08 146.96 25.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 71.120000000000005 109.993 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -63.18 -12.3 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 110.439 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.91 -61.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 74.219999999999999 109.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HD21 ' A' ' 7' ' ' LEU . 6.5 pt-20 -57.34 -39.47 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 71.530000000000001 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 107' ' ' ILE . 69.2 t -42.36 -47.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 54.5 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HG2' HD12 ' A' ' 100' ' ' ILE . 22.9 mttm -54.41 -44.4 72.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 72.329999999999998 109.264 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . 2.6 mtmt -75.05 -20.5 59.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.84 -11.62 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 75.1 t80 -85.44 -20.68 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 64.310000000000002 111.031 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.041 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -83.58 -43.1 16.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.28 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.722 HD12 ' CB ' ' A' ' 2' ' ' ALA . 6.7 mm -40.49 -47.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 70.299999999999997 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 66' ' ' LEU . 6.8 mt -70.96 -64.9 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 75.120000000000005 109.335 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 73.3 m-20 -43.26 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 50.5 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 12.2 mt-30 -88.15 -33.34 18.25 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.594 1.664 . . . . 64.319999999999993 110.271 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -98.07 -6.25 32.14 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 117.93 -1.033 . . . . 64.109999999999999 109.998 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 1.041 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 7.9 mmmt 49.49 54.51 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.297 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.5 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -74.72 -6.95 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 75.120000000000005 110.002 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 -5.4 71.93 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 63.039999999999999 110.984 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.08 -178.22 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 63.130000000000003 110.993 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 59' ' ' ILE . 24.9 mt -127.64 81.84 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 62.219999999999999 109.254 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -48.13 175.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 110.31 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.28 -28.28 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.345 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -80.73 -21.99 40.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 74.510000000000005 110.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -85.93 -22.55 27.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 60.310000000000002 110.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 98' ' ' ILE . 10.9 mt -60.82 -40.12 91.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 54.340000000000003 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -67.56 -13.11 61.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.248 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.008 HD22 ' NE2' ' A' ' 69' ' ' GLN . 11.3 mt -94.44 26.9 3.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 70.400000000000006 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.792 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 52.4 t80 -70.03 -11.36 60.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 111.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.79 HD22 HD23 ' A' ' 16' ' ' LEU . 31.5 mt -102.0 -13.58 17.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 65.209999999999994 109.345 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 1.008 ' NE2' HD22 ' A' ' 66' ' ' LEU . 49.5 mt-30 -71.1 -5.71 33.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 61.549999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.678 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.1 p30 -82.75 -45.19 14.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 71.450000000000003 109.3 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.73 ' CE2' ' CE1' ' A' ' 3' ' ' PHE . 34.5 m-85 -83.43 10.02 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 111.034 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 179.47 147.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 71.239999999999995 109.322 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.47 29.8 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.74 29.38 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 71.099999999999994 110.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.27 158.06 35.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 70.409999999999997 109.264 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.38 160.21 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 110.281 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.13 145.56 29.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 72.25 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 25' ' ' PHE . 1.9 mm? -76.64 168.29 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 71.310000000000002 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.8 t -77.68 167.89 20.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 55.439999999999998 110.008 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -24.28 66.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.439999999999998 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.21 -51.89 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 61.43 109.357 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -52.84 -55.45 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 74.530000000000001 110.303 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.2 m -56.49 -30.53 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 63.43 110.418 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -68.24 -62.81 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.150000000000006 109.315 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.729 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -48.45 -24.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . 0.8 OUTLIER -80.01 -40.81 27.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.0 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 64' ' ' LEU . 48.2 tp -60.62 -65.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -54.25 -31.09 52.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 109.321 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -57.4 -36.07 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 64.010000000000005 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -71.53 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 35.149999999999999 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.565 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.2 t0 -45.21 119.83 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 72.219999999999999 109.263 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -12.48 19.48 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 123.607 1.67 . . . . 72.409999999999997 110.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.8 p-10 -104.43 -9.15 18.63 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 117.862 -1.066 . . . . 70.040000000000006 109.944 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 47.51 62.78 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 73.230000000000004 111.013 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -105.08 -23.04 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 73.239999999999995 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 -0.7 22.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 43.130000000000003 111.002 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -130.81 154.46 48.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 0.752 . . . . 72.409999999999997 109.279 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.565 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.8 mt -130.43 108.52 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 74.030000000000001 109.335 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.13 -162.94 10.63 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 74.299999999999997 110.978 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.463 HD12 ' HG2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -83.86 -34.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 64.349999999999994 109.279 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.71 -28.96 66.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 64.510000000000005 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.73 -33.95 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 71.109999999999999 110.311 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' O ' ' HG2' ' A' ' 106' ' ' MET . 12.4 t80 -76.35 -31.44 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 73.129999999999995 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.668 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.79 -4.03 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 65.310000000000002 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.46 -54.3 4.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 63.329999999999998 109.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 3.8 ptm -51.67 -21.21 2.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 73.329999999999998 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.815 HD11 HG11 ' A' ' 44' ' ' VAL . 12.6 pt -97.42 -43.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 65.25 109.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -66.87 -15.85 63.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 51.210000000000001 109.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 60.299999999999997 110.959 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 2' ' ' ALA . 7.8 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.954 -0.387 . . . . 73.010000000000005 109.954 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.941 ' HG3' ' HB2' ' A' ' 4' ' ' ALA . 7.2 tpt -62.02 78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 72.230000000000004 110.983 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.984 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.27 -50.05 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 71.329999999999998 109.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.109 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.5 m-85 -48.66 -24.34 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 74.25 111.007 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.941 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -42.15 -28.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 61.210000000000001 109.322 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 m -79.26 -53.55 6.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 44.329999999999998 110.037 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 3.6 t -63.58 -62.95 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 75.099999999999994 109.293 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.1 mt -105.76 175.37 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.296 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.0 131.2 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 63.25 109.331 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.12 -34.95 46.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.305 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.23 -26.14 60.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 23.02 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mm-40 -76.62 -62.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.049999999999997 110.316 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.6 m -52.08 -31.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 50.240000000000002 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.29 -52.24 13.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.409999999999997 110.385 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.17 -29.41 60.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 109.286 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.13 -27.76 48.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 71' ' ' PHE . 10.3 mt -79.42 -29.36 41.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 109.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.87 -23.4 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 70.129999999999995 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.19 -7.01 76.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 52.020000000000003 110.992 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.74 24.46 5.38 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.281 -1.007 . . . . 74.349999999999994 108.281 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.97 -39.06 63.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.336 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -80.65 135.52 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 75.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 124.63 23.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.120000000000005 109.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.46 -3.85 85.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 65.349999999999994 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.4 t -99.95 10.79 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.431 0.724 . . . . 70.400000000000006 110.028 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 9.4 t80 -83.15 108.67 16.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 62.030000000000001 111.005 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.401 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.6 m-20 -111.59 95.07 5.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 65.329999999999998 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -40.75 -62.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 73.040000000000006 109.613 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -42.72 -56.25 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 74.200000000000003 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' LYS . 6.0 mmmm -48.67 -59.95 3.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.129999999999995 109.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.6 t80 -39.5 -63.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.450000000000003 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CG ' HG22 ' A' ' 107' ' ' ILE . 42.5 m-85 -59.08 -26.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 72.409999999999997 110.931 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.5 mtpm? -80.59 -18.47 48.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 109.286 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -83.78 -62.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.564 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -64.99 -18.13 65.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 71.150000000000006 108.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.99 -4.41 78.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 71.200000000000003 110.994 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -40.38 -31.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 0.753 . . . . 72.439999999999998 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.1 t -68.35 -52.21 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 70.140000000000001 110.034 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -82.94 -0.94 90.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 53.450000000000003 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' GLY . 18.9 mmtt -68.38 -171.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 75.230000000000004 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.0 m -103.61 137.89 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.025 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -52.26 -20.7 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 73.230000000000004 110.388 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -61.31 -63.27 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 63.240000000000002 109.308 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' ALA . 6.3 pt-20 -59.79 -38.45 81.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.329 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.753 ' CG1' HD11 ' A' ' 107' ' ' ILE . 70.0 t -43.36 -51.44 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 73.420000000000002 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -59.9 -37.67 80.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 60.119999999999997 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.5 mtpm? -73.56 -20.53 60.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -80.96 -35.51 32.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 70.319999999999993 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 59' ' ' ILE . 84.1 t80 -62.29 -21.59 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.29 -12.61 49.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 50.109999999999999 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.109 HG21 ' CD1' ' A' ' 3' ' ' PHE . 14.2 mm -70.77 -59.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 109.278 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.91 -70.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.354 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 2.0 t0 -41.02 103.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 72.519999999999996 109.314 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 17.9 mt-30 -93.59 -41.66 9.62 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-O 123.634 1.683 . . . . 75.219999999999999 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 29.2 p30 -73.69 -20.31 60.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.919 -1.039 . . . . 72.5 109.967 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER 53.76 25.1 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 109.329 -179.733 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' CG ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -48.25 -24.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 110.044 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.05 -54.83 0.77 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 62.539999999999999 110.977 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.546 ' CG ' ' NZ ' ' A' ' 97' ' ' LYS . 14.5 m-85 -127.22 134.68 50.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 72.109999999999999 110.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 63' ' ' GLU . 96.4 mt -68.71 83.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 71.340000000000003 109.328 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.16 166.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 63.100000000000001 110.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -53.4 -34.51 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 64.420000000000002 110.321 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.69 -26.47 67.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 75.040000000000006 110.275 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.73 ' HB3' HG23 ' A' ' 59' ' ' ILE . 18.6 mt-10 -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.049999999999997 110.293 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 98' ' ' ILE . 11.9 mt -51.45 -54.07 30.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 64.430000000000007 109.289 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.58 ' HG3' HD23 ' A' ' 66' ' ' LEU . 8.0 ptpt -53.95 -20.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 53.109999999999999 109.345 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.58 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.5 mt -92.77 27.38 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 64.219999999999999 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 79.1 t80 -77.72 2.79 15.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.129999999999995 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.0 mt -117.92 -7.98 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 64.310000000000002 109.304 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -87.92 1.05 55.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.647 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.7 p30 -84.4 -46.02 12.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 61.310000000000002 109.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.763 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 53.0 m-85 -81.4 4.11 22.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -175.15 149.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.7 24.68 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 64.200000000000003 109.257 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.32 21.01 0.84 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 72.420000000000002 110.969 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.93 151.69 22.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 0.8 . . . . 62.329999999999998 109.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -61.59 -170.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 62.219999999999999 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -135.3 124.43 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 64.25 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 1.3 mm? -40.37 134.19 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 52.530000000000001 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -61.66 167.22 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 54.200000000000003 109.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.53 -23.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 75.219999999999999 109.297 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.84 -61.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.287 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.6 mp0 -49.44 -22.78 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 72.450000000000003 110.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.0 m -89.37 -28.7 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 61.240000000000002 110.403 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.5 mtpt -74.89 -40.36 60.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 72.439999999999998 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.674 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.35 -39.12 91.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.302 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.687 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.7 t80 -81.19 -15.72 54.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 52.43 111.021 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 64' ' ' LEU . 46.0 tp -82.32 -52.11 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -72.54 -26.7 61.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 65.329999999999998 109.35 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -55.12 -65.62 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 53.32 109.313 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.58 -72.96 0.97 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.112 . . . . 63.299999999999997 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -44.9 119.67 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 60.43 109.298 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 t -100.62 -37.95 8.55 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-O 123.611 1.672 . . . . 71.209999999999994 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 17.6 p-10 -72.9 -9.53 58.79 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 117.936 -1.031 . . . . 72.140000000000001 110.007 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.21 53.25 31.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 111.016 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -97.53 -22.91 16.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 71.439999999999998 109.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.56 13.05 23.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.546 ' NZ ' ' CG ' ' A' ' 58' ' ' PHE . 4.9 mtmp? -135.46 147.41 48.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.75 . . . . 71.209999999999994 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.908 HD12 HD21 ' A' ' 64' ' ' LEU . 3.8 mt -123.45 107.52 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.8 -163.88 32.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 63.140000000000001 111.028 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -83.75 -39.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 55.100000000000001 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -16.63 63.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 73.340000000000003 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -98.63 -38.72 9.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 64.010000000000005 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -76.47 -26.6 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 74.349999999999994 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.19 -12.51 49.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 64.219999999999999 109.321 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.69 -51.59 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 22.350000000000001 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.05 -18.37 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 111.033 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.753 HD11 ' CG1' ' A' ' 44' ' ' VAL . 24.5 pt -100.61 -44.99 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 62.329999999999998 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -30.69 63.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 54.229999999999997 109.328 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 31.399999999999999 110.982 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.023 -0.362 . . . . 74.340000000000003 110.023 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -87.47 119.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.776 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -75.78 -41.14 53.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 64.239999999999995 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 71' ' ' PHE . 6.6 m-85 -59.24 -15.61 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 62.450000000000003 110.982 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.03 -28.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 50.020000000000003 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 3' ' ' PHE . 1.9 p -82.13 -54.61 5.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 110.07 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.84 -63.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 62.420000000000002 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.792 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -115.97 -176.42 2.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 54.530000000000001 109.302 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -93.79 136.17 34.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 109.285 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -60.16 -16.09 29.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 55.539999999999999 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.64 -25.01 35.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 44.210000000000001 109.329 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -86.96 -66.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.219999999999999 110.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 13.7 m -41.28 -40.54 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 73.439999999999998 109.32 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.59 -54.44 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 74.040000000000006 110.426 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' GLY . . . -49.89 -36.01 25.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.748 ' HB1' ' CE1' ' A' ' 30' ' ' PHE . . . -69.19 -36.14 76.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 74.430000000000007 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.759 HD11 ' CB ' ' A' ' 71' ' ' PHE . 11.9 mt -67.18 -36.0 80.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 65.049999999999997 109.288 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -89.4 -15.99 31.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 42.439999999999998 109.333 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -68.72 -6.78 52.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 45.420000000000002 111.009 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 22.8 p -137.19 24.19 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.324 -0.991 . . . . 44.409999999999997 108.324 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -56.16 -46.77 79.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 65.120000000000005 109.264 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 98.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 62.420000000000002 109.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.84 130.06 11.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.52 39.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 50.039999999999999 110.995 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.99 18.0 15.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 74.010000000000005 109.943 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -74.59 124.3 26.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.965 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 6.2 m-20 -130.7 86.37 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 72.030000000000001 109.336 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' NE2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 p-80 -40.0 -56.14 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 62.43 109.57 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 29.0 mtmt -47.6 -45.31 27.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 47.9 mmtt -62.63 -59.7 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 74.540000000000006 109.345 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.748 ' CE1' ' HB1' ' A' ' 15' ' ' ALA . 2.1 t80 -39.05 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.340000000000003 110.958 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.554 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 57.9 m-85 -52.09 -36.64 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 73.129999999999995 111.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -73.89 -23.31 59.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.340000000000003 109.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -73.34 -61.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 43.43 109.314 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.6 p -62.37 -20.43 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 72.310000000000002 108.329 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.32 -11.25 54.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 110.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' PHE . 11.0 mt -40.45 -37.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 74.25 109.335 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -69.54 112.03 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 64.219999999999999 109.969 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.19 -20.98 41.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 52.109999999999999 110.998 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -53.84 -172.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 51.219999999999999 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 44' ' ' VAL . 66.5 m -84.26 139.56 32.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 55.100000000000001 110.028 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -63.95 -11.3 27.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 110.404 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -76.11 -54.56 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 70.329999999999998 109.309 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.0 -38.24 82.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 73.299999999999997 110.297 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 78.4 t -48.88 -55.58 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 64.549999999999997 109.29 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 39.6 mttm -45.53 -34.45 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 63.109999999999999 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 8.2 mmmm -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.14 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 33.43 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 59' ' ' ILE . 65.9 t80 -59.4 -23.99 63.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.510000000000005 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.37 -20.31 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 71.340000000000003 109.275 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 2' ' ' ALA . 12.7 mm -70.01 -47.88 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 74.329999999999998 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 8.3 mt -71.1 -68.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 70.140000000000001 109.297 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 59' ' ' ILE . 6.1 m-20 -43.84 103.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 63.130000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 29.3 mt-30 -88.84 -13.05 40.2 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.633 1.683 . . . . 74.340000000000003 110.334 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.3 p30 -108.25 -23.57 11.87 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 117.932 -1.032 . . . . 54.219999999999999 109.964 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 1.9 mmmm 58.21 21.74 8.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 74.319999999999993 109.351 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.14 -53.65 1.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 64.329999999999998 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.92 -36.56 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 110.978 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -140.42 132.32 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 71.420000000000002 110.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 48' ' ' PHE . 67.0 mt -68.17 103.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 72.409999999999997 109.306 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.98 169.73 16.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 62.439999999999998 110.323 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -59.18 -24.63 63.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 110.255 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.26 -17.22 55.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 72.030000000000001 110.316 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -96.4 -26.89 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 110.31 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 98' ' ' ILE . 10.6 mt -61.6 -25.63 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 71.030000000000001 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' NZ ' ' HB1' ' A' ' 77' ' ' ALA . 9.0 ptmm? -83.81 -11.93 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 74.140000000000001 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 51' ' ' ILE . 10.0 mt -97.44 20.04 12.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 40.3 t80 -61.18 -13.6 19.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 71.519999999999996 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.95 -12.24 18.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 65.329999999999998 109.278 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 53' ' ' GLN . 50.4 mt-30 -74.72 -2.05 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 71.340000000000003 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.707 ' HB2' HG22 ' A' ' 50' ' ' ILE . 5.0 p30 -82.61 -43.45 16.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 63.439999999999998 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CE1' ' CD1' ' A' ' 3' ' ' PHE . 48.9 m-85 -85.78 9.35 16.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 75.099999999999994 111.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' GLN . 3.4 tmtt? -179.02 148.36 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 73.299999999999997 109.278 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.81 29.93 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 64.200000000000003 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.22 27.29 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.042 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.84 153.53 27.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 71.150000000000006 109.299 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.8 ptt180 -57.37 -177.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.209999999999994 110.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.567 ' HB1' ' NZ ' ' A' ' 65' ' ' LYS . . . -127.84 111.86 14.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.2 mm? -41.22 139.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 61.229999999999997 109.309 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -67.92 161.98 25.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 73.340000000000003 110.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -49.14 -24.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.297 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -81.03 -63.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.489 1.118 . . . . 75.450000000000003 109.295 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -52.11 -22.52 4.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 110.301 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 77.7 m -92.43 -23.92 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.447 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 19.0 mtpt -68.04 -58.48 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 72.510000000000005 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.844 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.13 -16.07 29.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 54.009999999999998 109.299 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.579 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -86.81 -38.01 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 74.120000000000005 110.993 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.516 HD13 HD12 ' A' ' 64' ' ' LEU . 57.0 tp -65.69 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -56.45 -19.4 14.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.329999999999998 109.314 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.2 -55.81 19.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 75.530000000000001 109.313 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.03 -60.51 1.13 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.576 ' H ' HD11 ' A' ' 98' ' ' ILE . 2.6 t0 -45.01 122.3 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 74.120000000000005 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -54.29 4.84 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 123.648 1.69 . . . . 60.420000000000002 109.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' A' ' 95' ' ' ASP . 3.6 p30 -87.72 7.59 29.52 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 117.884 -1.055 . . . . 74.230000000000004 109.968 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.66 51.54 1.92 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 52.520000000000003 110.999 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 9.0 p-10 -81.2 -22.91 38.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 74.420000000000002 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.46 1.72 12.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 40.109999999999999 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.08 151.74 51.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 63.240000000000002 109.285 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.78 HD12 HD11 ' A' ' 64' ' ' LEU . 3.1 mt -130.18 104.81 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 72.140000000000001 109.297 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.18 -165.04 5.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 53.43 110.978 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -83.72 -52.11 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 73.129999999999995 109.328 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.0 OUTLIER -50.36 -29.33 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 62.109999999999999 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 20.0 mt-10 -86.61 -42.64 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.230000000000004 110.297 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 106' ' ' MET . 35.4 t80 -59.54 -32.3 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 111.042 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.652 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.53 -5.48 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.94 -54.42 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 61.329999999999998 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 103' ' ' PHE . 4.3 ptm -52.05 -20.08 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 75.439999999999998 110.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 14.9 pt -99.79 -43.67 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 109.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -61.08 -22.8 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.530000000000001 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.428 1.08 . . . . 62.409999999999997 111.023 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.738 ' CB ' ' HB2' ' A' ' 73' ' ' ALA . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.998 -0.371 . . . . 62.210000000000001 109.998 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.77 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 64.239999999999995 111.019 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.848 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -86.91 -26.87 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 74.049999999999997 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.154 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.92 -5.3 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 55.32 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -15.42 31.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 63.420000000000002 109.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -107.22 -38.32 6.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 61.119999999999997 109.96 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.469 HG12 ' HG ' ' A' ' 7' ' ' LEU . 63.4 t -63.66 -62.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 64.219999999999999 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 34' ' ' CYS . 6.0 mt -113.19 -176.52 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 61.200000000000003 109.281 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 1.3 mmmp? -82.55 118.29 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.98 -19.99 55.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 75.030000000000001 109.354 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.13 -20.64 29.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 71.400000000000006 109.337 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 85.5 mt-10 -87.69 -65.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.129999999999995 110.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 m -40.8 -34.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 61.43 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.75 -51.05 9.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.42 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -56.44 -34.15 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.5 -21.77 60.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 50.219999999999999 109.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD11 ' CB ' ' A' ' 71' ' ' PHE . 6.1 mt -88.8 -29.95 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 63.219999999999999 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.95 -24.43 23.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.26 -12.48 81.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 54.200000000000003 111.0 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ALA . 7.3 p -108.97 -18.18 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.303 -0.999 . . . . 73.310000000000002 108.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -40.28 -30.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 60.43 109.279 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -78.56 109.41 12.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.323 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.55 146.73 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 52.409999999999997 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.79 18.88 8.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 51.32 111.036 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.6 t -123.04 13.11 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 63.539999999999999 109.96 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.1 t80 -91.59 116.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.120000000000005 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 53.7 t0 -114.81 94.48 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.956 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 5.6 p-80 -39.91 -48.59 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 74.150000000000006 109.569 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 18.5 mtmt -50.31 -48.49 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 72.519999999999996 109.301 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 42.0 mmtt -65.48 -58.28 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 63.450000000000003 109.263 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 13.7 t80 -38.45 -63.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 111.028 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 22.9 m-85 -54.27 -35.52 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 71.439999999999998 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -74.46 -19.97 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.72 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 63.329999999999998 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.4 p -61.64 -20.76 63.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 108.254 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.64 -10.17 60.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.948 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.5 mt -40.14 -30.37 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 72.340000000000003 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 35' ' ' GLY . 16.6 p -73.98 120.48 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 60.340000000000003 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.44 -17.77 57.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 75.409999999999997 110.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -54.77 -170.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 75.209999999999994 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -94.53 138.25 32.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 72.219999999999999 110.012 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 m -54.89 -18.61 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 71.340000000000003 110.372 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -65.48 -63.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.209999999999994 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.0 pt-20 -56.82 -41.58 78.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 72.219999999999999 110.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.729 HG13 HD11 ' A' ' 107' ' ' ILE . 55.5 t -45.31 -44.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 10.9 mttm -66.81 -45.27 78.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 53.32 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' N ' ' CD ' ' A' ' 46' ' ' LYS . 11.7 mmtt -64.01 -20.92 66.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 62.039999999999999 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.94 -39.62 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.552 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 2.3 t80 -63.87 -20.67 66.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 111.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.73 -5.5 59.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 53.530000000000001 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.154 HG21 ' CD2' ' A' ' 3' ' ' PHE . 7.6 mm -77.78 -53.68 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 74.219999999999999 109.347 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -61.7 -59.72 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 63.539999999999999 109.337 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD1' ' CE2' ' A' ' 48' ' ' PHE . 1.4 m-20 -42.08 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 75.030000000000001 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.82 -15.83 31.46 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 123.589 1.661 . . . . 73.109999999999999 110.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 11.4 p-10 -116.71 -18.43 10.27 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 117.929 -1.034 . . . . 74.310000000000002 110.034 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HZ2' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 62.39 29.67 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.040000000000006 109.266 -179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.455 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.5 p -45.98 -27.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.329999999999998 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 122.75 -13.84 8.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 62.109999999999999 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.4 m-85 -153.36 174.95 13.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 75.540000000000006 110.966 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.7 mt -116.6 88.39 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 75.129999999999995 109.335 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -69.23 160.65 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 65.140000000000001 110.27 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -40.0 -34.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 73.519999999999996 110.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -56.54 20.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 110.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.54 -28.82 69.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 65.329999999999998 110.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.671 ' HB3' HG23 ' A' ' 83' ' ' THR . 8.7 mt -51.9 -61.65 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 64.150000000000006 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -57.13 -17.95 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.59 27.78 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 51.200000000000003 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 85.7 t80 -78.09 4.59 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 71.239999999999995 111.033 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.1 mt -117.77 -9.65 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 70.519999999999996 110.321 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.601 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.6 p30 -83.35 -45.17 14.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.209999999999994 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.736 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 51.6 m-85 -83.32 5.64 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 74.030000000000001 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.73 ' NZ ' ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -175.32 149.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 75.040000000000006 109.31 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 0' ' ' SER . . . -101.27 22.52 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.311 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -147.45 17.8 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 61.310000000000002 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.62 -173.12 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 75.439999999999998 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 12.2 ptt180 -108.8 171.51 7.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 73.140000000000001 110.287 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.44 126.07 52.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.312 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.9 mm? -51.36 151.78 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 75.25 109.326 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 t -65.3 168.57 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 63.340000000000003 110.008 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -63.21 -25.07 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 71.25 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -38.4 15.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 62.420000000000002 109.312 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -62.71 -45.63 91.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 55.299999999999997 110.313 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.671 HG23 ' HB3' ' A' ' 64' ' ' LEU . 2.8 m -70.64 -21.06 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 52.240000000000002 110.441 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.945 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -60.95 -15.44 31.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 54.329999999999998 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -81.2 -35.79 30.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 75.5 111.037 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 98' ' ' ILE . 56.3 tp -68.73 -65.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 44.32 109.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -56.81 -19.49 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 72.120000000000005 109.361 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.956 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -64.03 -35.45 80.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 54.520000000000003 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -113.92 -62.56 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 73.239999999999995 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -57.75 93.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 74.409999999999997 109.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.7 t -82.64 3.09 30.31 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 123.641 1.686 . . . . 72.439999999999998 109.957 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -118.59 -5.27 10.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 117.933 -1.032 . . . . 51.130000000000003 109.985 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.76 69.88 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 43.219999999999999 111.005 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -101.62 -22.96 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.394 0.702 . . . . 74.519999999999996 109.328 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 118.92 -1.83 14.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 64.25 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.4 mtmm -143.03 156.14 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 73.340000000000003 109.335 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.592 HD12 HD21 ' A' ' 64' ' ' LEU . 2.0 mt -122.52 109.25 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 109.315 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.69 -162.49 27.61 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.459 1.099 . . . . 64.430000000000007 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -80.54 -36.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 0.793 . . . . 75.439999999999998 109.296 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -71.3 -20.25 62.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 70.319999999999993 109.324 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -95.29 -36.73 11.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 55.43 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 50.6 t80 -77.47 -29.77 52.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 62.539999999999999 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.618 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.22 -6.21 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 44.310000000000002 109.277 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 101' ' ' ASP . . . -82.29 -55.26 4.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 34.409999999999997 109.304 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.451 ' HE2' ' HE1' ' A' ' 86' ' ' PHE . 6.6 ptm -48.68 -22.15 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 111.009 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 44' ' ' VAL . 4.1 pt -101.62 -45.82 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 109.327 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -58.85 -18.6 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 72.25 109.326 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 34.350000000000001 110.98 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.013 -0.366 . . . . 65.439999999999998 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mmt 38.37 39.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.420000000000002 111.044 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -77.92 -41.51 36.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 72.230000000000004 109.306 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.161 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -52.66 -19.79 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 111.001 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.67 -21.54 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 55.229999999999997 109.321 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -97.31 -48.31 5.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 70.450000000000003 110.033 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 6' ' ' VAL . 3.6 t -63.74 -62.91 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 109.269 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.616 HD11 ' HG ' ' A' ' 36' ' ' LEU . 11.3 mt -107.28 -179.54 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 74.409999999999997 109.237 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 10.0 mmmm -84.24 120.79 26.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.333 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -59.41 -24.19 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 109.342 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.25 -19.25 39.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 63.229999999999997 109.321 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 62.8 mm-40 -87.23 -65.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.040000000000006 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' ALA . 16.3 m -44.46 -31.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 74.230000000000004 109.333 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -44.84 -51.04 9.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 75.230000000000004 110.411 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -61.62 -31.28 71.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 34.450000000000003 109.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -73.53 -20.21 60.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 73.129999999999995 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 71' ' ' PHE . 8.9 mt -88.57 -42.6 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.286 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.23 -29.38 67.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.318 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.06 -4.65 68.36 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 64.549999999999997 111.043 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 p -128.1 22.23 6.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.298 -1.001 . . . . 74.340000000000003 108.298 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -84.34 -15.81 45.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.313 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -95.33 112.36 24.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 73.329999999999998 109.27 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.47 140.06 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.450000000000003 109.281 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.83 25.8 62.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 33.229999999999997 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.9 t -128.43 7.13 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 70.319999999999993 110.017 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 19.6 t80 -89.42 138.89 31.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -136.28 97.18 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 109.292 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 50.1 p-80 -39.97 -56.46 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 109.582 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -48.31 -44.8 34.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.549999999999997 109.28 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ALA . 8.1 mmmm -62.74 -61.97 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 72.400000000000006 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 2.7 t80 -38.5 -63.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 63.109999999999999 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 12.1 m-85 -55.86 -36.1 67.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 75.329999999999998 110.975 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -73.82 -17.33 61.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.407 1.067 . . . . 75.230000000000004 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -81.16 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 60.450000000000003 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.998 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.2 p -64.24 -21.05 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 108.275 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 94.63 -5.74 70.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 70.109999999999999 110.984 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.998 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.3 mt -41.97 -28.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 75.439999999999998 109.317 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -64.96 -49.37 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 72.340000000000003 110.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -89.39 6.61 83.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.438 1.086 . . . . 70.219999999999999 110.972 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -72.64 -171.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 63.140000000000001 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.976 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.1 m -97.87 152.75 18.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 63.100000000000001 109.968 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.92 -9.77 47.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 54.240000000000002 110.371 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -75.52 -63.4 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -57.24 -38.27 73.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 71.140000000000001 110.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 40' ' ' SER . 90.5 t -47.98 -39.73 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -69.08 -32.98 72.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 73.420000000000002 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.4 mmmm -79.35 -21.11 46.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 74.140000000000001 109.27 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -82.82 -32.46 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -62.51 -22.46 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 65.430000000000007 111.012 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.73 -12.03 56.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 74.049999999999997 109.361 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.161 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -73.01 -49.65 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 71.129999999999995 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.98 HG23 ' OD1' ' A' ' 70' ' ' ASN . 2.5 mp -63.64 -64.03 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 72.439999999999998 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.24 103.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 73.519999999999996 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' NE2' ' OE1' ' A' ' 69' ' ' GLN . 25.2 mt-30 -90.2 -15.44 31.43 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 123.594 1.664 . . . . 72.099999999999994 110.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p-10 -120.33 -22.22 6.61 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 117.924 -1.036 . . . . 55.310000000000002 109.961 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp 72.2 33.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 53.119999999999997 109.29 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -24.17 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 121.86 -23.18 7.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 71.219999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.9 m-85 -144.56 -171.99 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.758 . . . . 71.319999999999993 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.677 ' O ' HG22 ' A' ' 59' ' ' ILE . 45.2 mt -123.52 76.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 64.150000000000006 109.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 96' ' ' GLY . 14.0 mp0 -50.69 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.150000000000006 110.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 96' ' ' GLY . 64.7 tt0 -57.61 -32.21 66.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 75.010000000000005 110.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -71.96 -17.08 62.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 74.519999999999996 110.266 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -94.42 -21.54 18.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 72.340000000000003 110.31 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.38 -61.53 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 63.329999999999998 109.315 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -55.89 -19.1 10.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 73.400000000000006 109.308 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 69' ' ' GLN . 87.0 mt -92.83 27.59 2.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 75.209999999999994 109.276 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.515 ' O ' ' CG ' ' A' ' 67' ' ' PHE . 39.6 t80 -79.05 4.98 12.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 72.120000000000005 111.002 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.2 mt -106.31 -14.44 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 65.099999999999994 109.291 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.652 ' NE2' HD22 ' A' ' 66' ' ' LEU . 74.7 mt-30 -83.59 1.99 39.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.285 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.98 ' OD1' HG23 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -80.22 -49.87 11.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 73.319999999999993 109.344 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.789 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 60.5 m-85 -86.64 16.4 4.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.129999999999995 110.99 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 16.5 tttp -177.88 143.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.510000000000005 109.348 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.17 28.5 3.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 55.130000000000003 109.273 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -166.77 30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 64.310000000000002 111.045 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.51 156.92 19.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 75.030000000000001 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.06 173.81 5.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 74.420000000000002 110.314 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.96 145.47 41.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 44.130000000000003 109.297 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.667 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 2.8 mm? -64.03 175.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 70.030000000000001 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.422 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 31.3 t -87.92 -171.8 3.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 75.299999999999997 109.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -76.54 -33.29 58.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 65.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.33 7.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 51.149999999999999 109.317 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 9.1 mt-10 -48.42 -55.72 10.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 71.549999999999997 110.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.4 m -55.48 -38.85 69.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.519999999999996 110.407 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -56.82 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 64.310000000000002 109.281 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.841 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -61.53 -16.29 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 72.439999999999998 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -87.32 -33.89 19.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 61.409999999999997 111.012 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 35.3 tp -72.48 -64.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -55.72 -19.45 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.219999999999999 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.76 -54.12 40.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 60.420000000000002 109.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.08 -54.88 1.24 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 75.430000000000007 110.994 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.61 ' H ' HD11 ' A' ' 98' ' ' ILE . 1.9 t70 -51.9 123.21 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 63.409999999999997 109.295 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 t -82.99 -54.34 5.14 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-O 123.642 1.687 . . . . 71.230000000000004 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.444 ' OD2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -91.03 10.71 25.58 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 117.911 -1.043 . . . . 43.140000000000001 109.997 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 37.67 51.93 1.92 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 43.549999999999997 111.043 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.444 ' CB ' ' OD2' ' A' ' 93' ' ' ASP . 7.7 p30 -79.2 -23.08 44.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 74.109999999999999 109.323 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' GLU . . . 117.27 2.79 17.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 52.539999999999999 110.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -130.6 144.16 51.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 0.737 . . . . 72.329999999999998 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.671 HD12 HD21 ' A' ' 64' ' ' LEU . 3.9 mt -129.17 102.87 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.5 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -72.9 -162.83 6.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 73.540000000000006 110.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -82.64 -38.17 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 73.140000000000001 109.296 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -29.53 70.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 54.210000000000001 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.12 -44.35 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 74.340000000000003 110.273 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 55.4 t80 -63.13 -28.97 70.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 110.999 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.88 -10.65 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.12 -53.93 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 60.100000000000001 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.427 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 8.0 ptm -51.5 -18.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.239999999999995 111.018 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.648 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -107.13 -34.85 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 63.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 47.2 tttt -72.54 -13.72 61.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 43.530000000000001 111.069 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.025 -0.361 . . . . 61.310000000000002 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 mtt -90.53 164.62 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.439999999999998 111.0 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.95 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.21 -54.13 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 60.299999999999997 109.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.128 ' CD1' HG21 ' A' ' 50' ' ' ILE . 6.3 m-85 -54.37 -18.46 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.340000000000003 110.989 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.91 -21.36 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 109.281 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -93.98 -49.38 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 70.219999999999999 110.033 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 50' ' ' ILE . 3.4 t -63.89 -63.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.314 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 34' ' ' CYS . 5.8 mt -111.23 -176.39 2.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 74.439999999999998 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.682 ' O ' HG13 ' A' ' 12' ' ' VAL . 4.1 mptt -72.34 147.71 46.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 70.129999999999995 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -81.95 -29.27 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 53.200000000000003 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.89 24.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.519999999999996 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 46.3 mm-40 -67.52 -57.59 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 63.439999999999998 110.255 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG12 ' SG ' ' A' ' 34' ' ' CYS . 19.4 m -53.54 -34.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 74.150000000000006 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.2 m -56.91 -48.58 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 70.010000000000005 110.361 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.81 -24.02 14.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -87.53 -25.04 23.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 62.140000000000001 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD11 ' CB ' ' A' ' 71' ' ' PHE . 12.1 mt -76.59 -34.21 58.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 71.030000000000001 109.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -73.66 -25.37 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 65.420000000000002 109.31 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.09 0.41 62.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 73.150000000000006 110.998 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.4 p -134.88 22.06 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.27 -1.011 . . . . 65.030000000000001 108.27 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -83.77 -15.57 48.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 70.25 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.751 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -101.29 103.14 14.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 54.140000000000001 109.347 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.62 132.97 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.349999999999994 109.26 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.32 24.26 76.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 70.340000000000003 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.751 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 2.8 p -132.97 8.59 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 72.310000000000002 109.976 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.0 t80 -83.74 136.9 33.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 74.349999999999994 110.975 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -135.03 96.42 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.298 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 26.8 p-80 -42.07 -59.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 65.099999999999994 109.588 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 1.9 mmmm -44.13 -45.46 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 64.049999999999997 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 17.1 mmtp -64.62 -39.22 93.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 109.275 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CZ ' ' CE2' ' A' ' 71' ' ' PHE . 1.1 t80 -59.9 -62.81 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 61.32 110.954 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.656 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.7 m-85 -61.06 -36.7 80.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.439999999999998 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.7 tttm -74.82 -20.39 59.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 64.430000000000007 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 29' ' ' LYS . . . -79.96 -51.5 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.039999999999999 109.331 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.732 ' SG ' HG12 ' A' ' 12' ' ' VAL . 10.1 t -76.4 -25.66 54.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 108.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 105.07 -11.53 48.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 70.209999999999994 110.994 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.3 mt -40.21 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 65.430000000000007 109.314 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 1.6 t -72.91 124.58 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 73.120000000000005 109.976 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.61 7.36 71.94 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -76.21 -171.57 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 75.319999999999993 109.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.959 ' O ' HG23 ' A' ' 44' ' ' VAL . 48.5 m -98.03 151.28 20.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 51.140000000000001 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.717 HG22 ' HD2' ' A' ' 45' ' ' LYS . 86.9 m -64.71 -20.89 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 110.39 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -63.16 -54.38 38.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 63.329999999999998 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.9 pt-20 -72.28 -44.43 62.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 110.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 40' ' ' SER . 74.5 t -47.22 -41.68 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 64.310000000000002 109.343 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.717 ' HD2' HG22 ' A' ' 41' ' ' THR . 5.0 mtpm? -60.35 -35.75 76.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 54.32 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 8.9 mmmm -72.57 -41.52 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 64.109999999999999 109.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.5 72.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 71.239999999999995 109.302 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CE1' ' OD2' ' A' ' 52' ' ' ASP . 61.7 t80 -64.5 -22.16 66.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 74.25 110.958 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.12 -16.58 49.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 63.530000000000001 109.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.128 HG21 ' CD1' ' A' ' 3' ' ' PHE . 16.7 mm -69.83 -49.58 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 65.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.037 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.6 mp -62.52 -65.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 61.399999999999999 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.515 ' OD2' ' CE1' ' A' ' 48' ' ' PHE . 82.9 m-20 -40.4 103.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.439999999999998 109.341 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -92.33 -14.69 28.38 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 123.624 1.678 . . . . 74.219999999999999 110.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -120.59 -13.44 8.76 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.873 -1.06 . . . . 74.329999999999998 109.961 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp 61.27 36.87 17.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 61.140000000000001 109.31 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.428 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.3 p -57.07 -41.89 79.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 74.510000000000005 109.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 141.75 -21.39 2.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 74.140000000000001 111.039 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 36.9 m-85 -147.76 -175.39 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 61.210000000000001 110.981 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 59' ' ' ILE . 31.0 mt -119.91 77.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.1 mp0 -52.41 158.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 110.238 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -44.73 -36.49 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 71.510000000000005 110.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.7 -39.43 93.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 71.510000000000005 110.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' GLU . 48.1 mt-10 -69.86 -38.96 76.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 98' ' ' ILE . 12.6 mt -49.92 -62.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 34.530000000000001 109.269 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -52.98 -21.35 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 71.120000000000005 109.3 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.664 HD22 ' NE2' ' A' ' 69' ' ' GLN . 24.0 mt -96.66 27.46 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 70.150000000000006 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 23.0 t80 -71.52 -3.57 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.549999999999997 110.942 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.563 HD12 ' HG3' ' A' ' 76' ' ' ARG . 13.5 mt -100.12 -21.25 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.664 ' NE2' HD22 ' A' ' 66' ' ' LEU . 57.8 mt-30 -79.26 1.44 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 72.129999999999995 110.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 1.037 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.7 OUTLIER -80.43 -48.69 12.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 73.329999999999998 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CD1' ' CD1' ' A' ' 3' ' ' PHE . 73.0 m-85 -85.53 14.56 5.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 54.539999999999999 110.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 2.1 ttpm? -178.04 141.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.18 29.19 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 72.540000000000006 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.09 27.18 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -82.47 175.05 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 65.120000000000005 109.311 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -88.98 -172.93 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 71.010000000000005 110.323 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -121.03 145.38 47.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 75.430000000000007 109.271 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.5 mm? -70.57 163.15 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.400000000000006 109.285 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.429 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 46.1 t -74.25 166.54 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 53.009999999999998 110.031 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.68 -25.08 64.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 74.319999999999993 109.35 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.62 -56.59 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 62.549999999999997 109.328 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 10.3 mt-10 -41.58 -48.87 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 71.409999999999997 110.333 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 64' ' ' LEU . 16.5 m -65.11 -36.73 85.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 63.439999999999998 110.441 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.4 mmtt -61.99 -41.98 98.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 61.310000000000002 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -71.27 -42.83 68.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 75.319999999999993 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE2' ' CE ' ' A' ' 106' ' ' MET . 6.6 t80 -73.58 -11.6 60.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 72.120000000000005 110.984 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.809 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.8 tp -84.07 -53.73 5.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 72.329999999999998 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.02 -33.4 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 72.219999999999999 109.254 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -50.26 -31.11 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 74.540000000000006 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -115.57 -61.64 0.36 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 42.130000000000003 111.039 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 13.7 t0 -55.2 89.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 73.140000000000001 109.279 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -64.69 -54.63 28.54 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 123.651 1.691 . . . . 74.25 109.991 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 102' ' ' GLU . 11.9 p30 -71.01 -14.6 62.4 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.928 -1.034 . . . . 62.140000000000001 109.995 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.58 70.2 0.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 43.520000000000003 111.004 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.77 -14.92 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 64.340000000000003 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.13 1.49 8.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 74.340000000000003 111.025 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -146.2 167.85 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 73.510000000000005 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.898 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -127.73 107.38 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.26 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.81 -162.26 33.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 44.130000000000003 111.041 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -80.29 -38.71 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 72.540000000000006 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -17.01 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 75.129999999999995 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.402 ' OE2' ' OD2' ' A' ' 93' ' ' ASP . 60.2 mt-10 -99.89 -40.11 7.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 73.319999999999993 110.239 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 57.7 t80 -75.95 -26.16 56.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 72.349999999999994 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.09 -11.14 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 60.229999999999997 109.328 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.26 -53.68 6.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 72.519999999999996 109.264 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 4.2 ptm -50.32 -19.55 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 63.43 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.718 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.2 pt -106.41 -37.47 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 60.43 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 19.6 tttm -69.38 -13.9 62.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 51.43 111.013 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.981 -0.377 . . . . 61.5 109.981 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttm 45.95 43.67 10.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 74.120000000000005 110.994 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -69.87 -29.6 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.109999999999999 109.296 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.209 ' CD1' HG21 ' A' ' 50' ' ' ILE . 3.2 m-85 -66.67 -8.56 28.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 111.019 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -49.18 146.85 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 45.219999999999999 109.325 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 4' ' ' ALA . 1.1 m 84.06 -0.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 109.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.34 -61.68 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 63.409999999999997 109.307 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -128.73 -176.47 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 64.329999999999998 109.334 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . 23.4 tttt -79.25 119.41 22.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 65.430000000000007 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.25 -21.28 63.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 62.350000000000001 109.269 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.26 -16.85 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 62.310000000000002 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 8' ' ' LYS . 22.3 mm-40 -88.0 -64.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 23.32 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -41.89 -29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 61.329999999999998 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.497 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -49.67 -51.03 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 61.119999999999997 110.431 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -60.62 -36.29 78.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 41.509999999999998 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 30' ' ' PHE . . . -64.71 -20.86 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 43.350000000000001 109.285 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 71' ' ' PHE . 14.4 mt -86.05 -51.84 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 65.340000000000003 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.47 -11.46 60.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 72.439999999999998 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -63.25 -11.41 39.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 35.409999999999997 110.958 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.7 p -132.78 21.76 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.331 -0.989 . . . . 74.400000000000006 108.331 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -44.08 -46.06 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 109.257 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 122.42 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 53.310000000000002 109.285 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.68 121.1 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 60.509999999999998 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 101.73 10.86 39.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 44.119999999999997 110.957 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -133.04 22.56 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 64.109999999999999 110.007 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 27' ' ' HIS . 32.1 t80 -78.51 139.2 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 111.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -134.18 81.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.230000000000004 109.307 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 33.3 p-80 -39.86 -55.3 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 70.430000000000007 109.62 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 35.3 mmtt -47.7 -46.06 29.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 61.200000000000003 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 16.5 mmtp -61.98 -49.92 74.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 73.219999999999999 109.265 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 2.7 t80 -47.34 -62.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 74.420000000000002 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 56.8 m-85 -58.7 -42.77 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 53.109999999999999 111.027 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -66.42 -17.4 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.450000000000003 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -79.28 -62.0 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 63.399999999999999 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.679 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.9 p -65.47 -15.57 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 71.439999999999998 108.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 92.83 -5.3 76.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.551 1.157 . . . . 75.319999999999993 111.021 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD12 ' SG ' ' A' ' 34' ' ' CYS . 9.2 mt -40.36 -29.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 71.430000000000007 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 35' ' ' GLY . 6.3 t -66.83 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 52.520000000000003 109.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.1 -7.58 57.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 72.209999999999994 110.944 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -63.15 -178.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 64.420000000000002 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.7 m -91.71 144.28 25.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 64.340000000000003 110.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.9 HG22 ' HZ1' ' A' ' 45' ' ' LYS . 22.7 m -63.45 -12.49 31.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 73.019999999999996 110.467 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -71.48 -55.27 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.274 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.3 pt-20 -61.47 -35.41 77.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 72.400000000000006 110.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.772 HG11 HD11 ' A' ' 107' ' ' ILE . 92.3 t -50.68 -35.13 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 73.430000000000007 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.9 ' HZ1' HG22 ' A' ' 41' ' ' THR . 26.6 mttp -68.9 -31.3 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 62.130000000000003 109.354 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -86.04 -20.62 28.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 109.285 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.517 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -83.65 -29.5 27.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 62.509999999999998 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -69.32 -36.06 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 64.129999999999995 111.011 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.8 -14.22 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 55.229999999999997 109.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.209 HG21 ' CD1' ' A' ' 3' ' ' PHE . 31.1 mm -69.0 -62.48 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 109.34 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.029 HG23 ' ND2' ' A' ' 70' ' ' ASN . 1.9 mp -46.52 -59.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 73.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' CE ' ' A' ' 55' ' ' LYS . 25.5 m-20 -40.52 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 72.209999999999994 109.298 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -88.92 -20.25 24.76 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-O 123.623 1.677 . . . . 64.25 110.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' OD2' ' N ' ' A' ' 56' ' ' SER . 2.8 p30 -117.77 -11.29 10.36 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 117.923 -1.037 . . . . 62.329999999999998 110.018 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 27.2 mmtm 58.38 57.07 4.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.298 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.442 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -81.58 -25.52 35.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 45.130000000000003 109.992 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.62 -33.84 3.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.454 1.096 . . . . 31.039999999999999 111.027 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -130.02 178.03 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 75.540000000000006 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 59' ' ' ILE . 22.6 mt -116.94 80.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.329999999999998 109.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -45.47 170.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 73.430000000000007 110.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.18 -39.23 86.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.87 -19.15 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 71.099999999999994 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . 26.9 mt-10 -89.49 -29.14 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 51.219999999999999 110.339 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.84 HD21 HD12 ' A' ' 98' ' ' ILE . 18.7 mt -54.28 -60.22 3.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 70.25 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 13.3 ptmt -51.62 -22.3 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 75.030000000000001 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 77' ' ' ALA . 16.1 mt -92.93 27.31 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 71.310000000000002 109.278 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.519 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 30.1 t80 -69.59 -5.84 27.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 75.239999999999995 110.998 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.626 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 67.5 mt -99.11 -17.53 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.420000000000002 109.313 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 66' ' ' LEU . 62.2 mt-30 -82.68 1.61 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 72.310000000000002 110.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 1.029 ' ND2' HG23 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -82.43 -49.06 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' HB2' HD21 ' A' ' 16' ' ' LEU . 74.7 m-85 -83.16 11.19 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 111.014 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 11.0 tttm -177.37 146.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 72.200000000000003 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.66 73.3 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.307 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 162.31 -26.86 0.25 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 74.319999999999993 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.78 144.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 0.728 . . . . 62.409999999999997 109.274 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -57.67 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 71.329999999999998 110.263 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 66' ' ' LEU . . . -130.63 125.36 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 52.009999999999998 109.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.1 mm? -40.18 158.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 109.344 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.6 t -70.94 -172.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 64.340000000000003 110.046 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -77.42 -31.87 54.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 63.149999999999999 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.38 -38.58 23.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 71.299999999999997 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 25.2 mt-10 -61.99 -46.5 88.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 70.319999999999993 110.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.507 HG21 ' HB3' ' A' ' 65' ' ' LYS . 66.0 m -70.13 -22.52 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 55.43 110.382 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -64.81 -58.96 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 52.229999999999997 109.326 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.773 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.55 -17.28 62.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 63.329999999999998 109.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.461 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -82.76 -39.99 21.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 74.019999999999996 111.014 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.552 ' HA ' HD13 ' A' ' 64' ' ' LEU . 61.5 tp -60.04 -64.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 70.400000000000006 109.276 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -40.61 73.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 73.319999999999993 109.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -40.74 -47.62 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -98.14 -65.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 75.120000000000005 111.021 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' HB2' ' CG1' ' A' ' 98' ' ' ILE . 4.5 t0 -65.73 93.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 73.319999999999993 109.267 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.0 t -100.65 5.36 43.79 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 123.664 1.697 . . . . 62.409999999999997 110.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.58 -7.62 21.66 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 117.903 -1.046 . . . . 62.119999999999997 109.948 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.34 51.11 55.36 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 70.019999999999996 110.99 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.77 -15.65 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 71.219999999999999 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' N ' ' OD2' ' A' ' 91' ' ' ASP . . . 89.74 -26.84 8.75 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 72.349999999999994 110.996 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . 13.9 mtmm -108.35 150.58 27.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 54.520000000000003 109.266 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.84 HD12 HD21 ' A' ' 64' ' ' LEU . 4.6 mt -115.88 124.53 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 62.329999999999998 109.319 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -97.99 -162.52 30.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 54.539999999999999 111.002 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.422 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -80.96 -44.05 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 61.329999999999998 109.254 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -31.51 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 61.310000000000002 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.4 mt-10 -87.4 -46.94 9.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 71.340000000000003 110.329 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.3 t80 -59.25 -31.18 68.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 110.961 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.649 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.58 -4.47 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 63.210000000000001 109.259 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -84.84 -54.4 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 64.030000000000001 109.296 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -52.02 -21.32 3.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 62.310000000000002 111.04 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.772 HD11 HG11 ' A' ' 44' ' ' VAL . 15.1 pt -97.2 -43.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 109.284 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -66.96 -16.17 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 64.329999999999998 109.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 52.399999999999999 110.97 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.978 -0.378 . . . . 63.119999999999997 109.978 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.629 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -129.14 25.9 5.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 43.210000000000001 111.013 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.851 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -62.53 -49.98 73.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 71.120000000000005 109.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.15 ' CD1' HG21 ' A' ' 50' ' ' ILE . 12.8 m-85 -69.06 -8.11 42.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 64.519999999999996 111.039 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . -61.71 -15.19 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 63.420000000000002 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.29 -37.78 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 71.319999999999993 110.011 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 7' ' ' LEU . 59.4 t -63.65 -62.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 62.43 109.285 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD13 ' HB2' ' A' ' 34' ' ' CYS . 4.0 mt -112.38 -176.5 2.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.321 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.42 119.66 30.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 52.439999999999998 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -53.26 -22.24 6.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 109.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.77 -35.54 44.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -72.64 -65.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.6 m -47.7 -36.77 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 64.120000000000005 109.328 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.61 -54.24 9.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 110.372 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.32 65.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 109.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -76.12 -21.93 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.94 -42.34 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 61.549999999999997 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -76.04 -15.7 60.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.35 -4.26 88.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.563 1.164 . . . . 73.530000000000001 110.954 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 p -135.62 25.86 3.41 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.296 -1.002 . . . . 73.120000000000005 108.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -78.15 -15.81 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -94.37 118.81 32.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 54.539999999999999 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.66 152.04 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.230000000000004 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 48.64 22.68 2.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 55.399999999999999 111.001 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.8 OUTLIER -127.77 13.72 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 71.120000000000005 110.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t80 -92.71 141.21 28.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 52.219999999999999 110.997 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -134.65 94.95 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 64.219999999999999 109.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 18.9 p-80 -39.92 -62.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 63.549999999999997 109.598 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 4.9 mmmt -42.63 -55.75 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 109.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -49.28 -56.86 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 44.229999999999997 109.323 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 2.1 t80 -41.12 -63.4 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 74.019999999999996 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 65.6 m-85 -57.41 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 65.239999999999995 110.999 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 6.3 tttp -77.4 -17.26 58.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.049999999999997 109.338 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.15 -62.04 1.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 70.109999999999999 109.318 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.747 ' SG ' HD12 ' A' ' 36' ' ' LEU . 7.7 p -63.69 -20.62 65.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.049999999999997 108.326 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.63 5.6 58.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 74.010000000000005 110.979 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.747 HD12 ' SG ' ' A' ' 34' ' ' CYS . 13.1 mt -62.02 -16.68 53.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 75.140000000000001 109.378 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -72.6 -10.5 59.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 65.420000000000002 109.978 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.44 10.14 3.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 65.200000000000003 110.96 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 12.5 mmtt -66.53 174.91 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 74.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.67 ' O ' HG23 ' A' ' 44' ' ' VAL . 29.1 m -79.06 140.65 37.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 64.219999999999999 109.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -63.3 -12.17 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.371 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.71 -53.05 6.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 72.540000000000006 109.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.3 pt-20 -65.41 -39.24 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 64.010000000000005 110.276 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 107' ' ' ILE . 50.1 t -47.07 -47.94 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 55.25 109.299 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 49.8 mttm -57.89 -31.88 67.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 62.130000000000003 109.263 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.9 mmmm -80.54 -22.4 40.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 109.261 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HA ' ' CG1' ' A' ' 50' ' ' ILE . . . -78.31 -40.04 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 62.25 109.29 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -63.16 -20.63 65.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 110.981 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -3.73 59.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 52.140000000000001 109.309 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.15 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.9 mm -79.93 -56.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 52.149999999999999 109.295 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.1 mp -60.87 -56.31 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 62.32 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -40.45 103.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 71.400000000000006 109.318 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.9 mt-30 -95.93 -21.2 18.19 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 123.582 1.658 . . . . 75.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.4 p-10 -113.73 -2.98 13.59 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.882 -1.056 . . . . 44.210000000000001 109.973 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt 47.94 43.98 18.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.439999999999998 109.279 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -64.24 -12.0 36.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 34.039999999999999 110.014 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 109.17 -26.79 14.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.109 . . . . 63.119999999999997 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 24.4 m-85 -144.32 179.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 74.140000000000001 111.012 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -117.32 84.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 71.109999999999999 109.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 175.68 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 74.549999999999997 110.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.53 ' HG2' HG22 ' A' ' 83' ' ' THR . 14.8 tt0 -55.18 -53.27 58.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 73.409999999999997 110.37 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 16.8 mt-10 -52.69 -23.02 5.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 71.5 110.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.25 -25.82 15.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.319999999999993 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.56 ' CB ' HG23 ' A' ' 83' ' ' THR . 15.0 mt -59.05 -51.37 70.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 109.324 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 62' ' ' GLU . 6.6 ptpp? -58.35 -17.42 19.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.510000000000005 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.92 27.43 2.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 64.099999999999994 109.255 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 49.0 t80 -76.91 1.93 16.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 42.329999999999998 110.995 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 67' ' ' PHE . 13.5 mt -118.08 -7.76 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -88.76 1.55 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 50.439999999999998 110.343 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.607 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 7.5 p30 -86.14 -45.29 11.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 74.400000000000006 109.251 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.3 m-85 -82.99 8.59 12.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 111.009 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.52 159.11 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 109.305 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.42 31.55 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.311 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.88 24.64 0.49 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.113 . . . . 43.299999999999997 111.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -88.63 164.84 15.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 0.717 . . . . 41.43 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.21 163.12 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 74.109999999999999 110.334 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.33 147.89 28.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 64.409999999999997 109.294 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' CD1' ' CG ' ' A' ' 25' ' ' PHE . 2.7 mm? -71.28 156.61 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.3 t -67.76 -177.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 64.099999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' CD ' ' A' ' 84' ' ' LYS . 4.6 m-20 -71.87 -24.41 61.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.18 8.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 62.240000000000002 109.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 59.8 mt-10 -57.3 -30.12 64.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 74.549999999999997 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 64' ' ' LEU . 29.8 m -87.96 -15.6 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 62.439999999999998 110.404 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' ASP . 4.9 mtpm? -77.35 -65.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 73.299999999999997 109.33 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -47.3 -42.03 20.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 109.282 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -58.85 -34.25 71.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.310000000000002 111.007 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 39.9 tp -68.19 -62.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -19.47 64.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 52.439999999999998 109.342 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -64.39 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 73.209999999999994 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.95 -48.78 6.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 35.219999999999999 110.993 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 5.7 t0 -66.58 85.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.759 . . . . 74.519999999999996 109.345 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.46 5.39 27.58 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 123.652 1.691 . . . . 73.049999999999997 109.997 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -122.0 0.4 9.66 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.923 -1.037 . . . . 74.299999999999997 109.972 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.05 69.94 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 72.510000000000005 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -99.48 -23.04 15.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 74.510000000000005 109.314 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 126.77 -10.43 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 75.219999999999999 111.033 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.445 ' HG3' ' CB ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.66 166.76 32.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 74.510000000000005 109.255 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.46 127.49 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 65.299999999999997 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -94.81 -165.46 35.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 60.130000000000003 110.967 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.499 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -81.02 -43.91 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 71.129999999999995 109.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.67 -24.51 61.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 109.285 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -92.26 -49.72 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 73.030000000000001 110.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -57.33 -30.23 64.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 51.350000000000001 111.024 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD1' ' A' ' 107' ' ' ILE . . . -85.75 -12.87 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.540000000000006 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.09 -50.56 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 60.520000000000003 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.3 ptm -56.91 -31.59 65.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 50.43 111.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 44' ' ' VAL . 13.9 pt -83.42 -54.04 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 71.329999999999998 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' N ' HG13 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -54.59 -27.53 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 72.439999999999998 109.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 31.010000000000002 111.019 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.966 -0.383 . . . . 75.230000000000004 109.966 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.69 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 28.3 mtt -140.88 115.4 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 111.014 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.886 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -81.2 -62.32 1.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 70.400000000000006 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.155 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.4 m-85 -53.81 -19.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 111.008 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 1' ' ' MET . . . -51.87 -22.71 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.020000000000003 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m -104.0 -38.25 7.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 71.209999999999994 109.978 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG21 HD11 ' A' ' 50' ' ' ILE . 43.6 t -64.67 -62.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 75.150000000000006 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD11 ' HG ' ' A' ' 36' ' ' LEU . 10.4 mt -115.12 176.9 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.430000000000007 109.284 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -78.95 116.53 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 54.210000000000001 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.51 -15.81 30.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 75.329999999999998 109.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.58 -26.37 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 63.310000000000002 109.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -87.17 -66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 75.299999999999997 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.1 m -45.44 -36.7 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -52.65 -58.94 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 75.219999999999999 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.25 -29.69 65.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 62.520000000000003 109.324 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . . . -78.84 -17.86 54.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 71.409999999999997 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 71' ' ' PHE . 2.6 mt -82.1 -36.41 27.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.35 -15.62 59.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.25 -7.07 62.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 70.230000000000004 111.022 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 p -136.29 29.86 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.249 -1.019 . . . . 72.0 108.249 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.0 -46.75 83.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.92 136.71 48.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 70.099999999999994 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.21 157.94 35.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 61.310000000000002 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.09 21.48 17.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 72.409999999999997 110.993 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 p -132.45 13.18 4.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 73.340000000000003 109.994 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 3.4 t80 -91.95 136.44 33.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.144 . . . . 62.32 110.99 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -134.48 93.02 2.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 64.200000000000003 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASP . 13.8 p80 -39.87 -60.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 71.420000000000002 109.567 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 -44.89 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 63.450000000000003 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 26' ' ' ASP . 24.4 mmtp -66.69 -59.23 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 64.019999999999996 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 22.7 t80 -38.46 -60.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.674 ' CD1' HG23 ' A' ' 107' ' ' ILE . 18.2 m-85 -49.65 -39.69 37.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 75.409999999999997 111.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.1 mmmt -76.35 -22.96 54.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 75.019999999999996 109.29 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' PHE . . . -81.28 -28.36 34.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 62.520000000000003 109.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 30' ' ' PHE . 3.3 m -95.64 -23.93 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 72.120000000000005 108.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 99.53 -13.9 60.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.544 1.152 . . . . 63.520000000000003 110.985 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 7' ' ' LEU . 4.5 mt -44.33 -27.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 73.540000000000006 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -45.63 87.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 110.002 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -92.07 8.49 77.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 73.319999999999993 110.986 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 20.1 mmtt -77.89 -179.61 6.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 73.129999999999995 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' VAL . 37.8 m -97.16 137.64 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 75.129999999999995 109.969 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -26.23 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 110.415 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -56.7 -63.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 109.286 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -61.26 -37.27 82.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 110.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.737 HG13 HD11 ' A' ' 107' ' ' ILE . 55.8 t -45.2 -43.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 71.120000000000005 109.283 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -68.6 -37.2 79.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 75.319999999999993 109.292 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.2 mmmt -71.79 -20.46 61.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 71.439999999999998 109.326 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' ' CE2' ' A' ' 3' ' ' PHE . . . -85.3 -34.35 21.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 62.409999999999997 109.329 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.5 t80 -63.46 -21.03 66.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 63.420000000000002 110.988 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.42 -7.42 58.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 71.329999999999998 109.275 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.155 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.2 mm -75.53 -51.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.473 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -65.28 -63.43 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 109.234 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.62 92.89 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 63.149999999999999 109.313 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -82.7 -24.38 33.67 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 123.549 1.643 . . . . 72.099999999999994 110.255 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 1.6 p30 -70.82 -40.02 72.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.869 -1.062 . . . . 75.239999999999995 110.004 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.1 OUTLIER 73.94 51.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 71.310000000000002 109.294 -179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 m -80.88 -30.73 35.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 45.350000000000001 110.026 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.57 -35.31 2.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 110.996 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -136.53 141.78 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 71.230000000000004 110.984 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 59' ' ' ILE . 7.3 mt -72.07 80.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.33 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' GLU . 37.1 mt-10 -52.78 152.81 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 52.340000000000003 110.323 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.972 ' OE1' HD22 ' A' ' 87' ' ' LEU . 3.4 tp10 -44.1 -26.31 0.29 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 73.340000000000003 110.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 60' ' ' GLU . 16.9 mt-10 -62.29 -52.98 61.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -69.03 -26.29 64.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 74.25 110.305 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' OE2' ' A' ' 61' ' ' GLU . 10.4 mt -56.18 -53.48 56.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.287 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.525 ' HB3' HG21 ' A' ' 83' ' ' THR . 4.7 ptpt -64.71 -12.46 47.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.430000000000007 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -101.94 27.32 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 64.219999999999999 109.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.852 ' HB3' HD21 ' A' ' 78' ' ' LEU . 70.2 t80 -67.73 -7.51 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 44.439999999999998 111.062 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.75 HD22 HD23 ' A' ' 16' ' ' LEU . 13.7 mt -104.84 -27.26 11.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 73.6 mt-30 -78.16 1.76 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 64.439999999999998 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.9 p-10 -78.97 -49.15 13.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.833 ' CB ' HD11 ' A' ' 16' ' ' LEU . 95.0 m-85 -85.93 15.16 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 73.5 111.001 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 21.2 tttt -177.38 139.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.15 72.41 5.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 71.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 160.12 -25.79 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 70.239999999999995 111.025 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' GLN . . . -40.05 143.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 72.150000000000006 109.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.83 167.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.200000000000003 110.261 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.75 55.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.325 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.852 HD21 ' HB3' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -43.92 165.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 74.530000000000001 109.285 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -76.94 -173.26 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 65.5 110.019 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -74.68 -24.91 58.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 54.329999999999998 109.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -56.6 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 63.32 109.29 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -43.82 -49.14 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.525 HG21 ' HB3' ' A' ' 65' ' ' LYS . 90.1 m -60.56 -34.31 73.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 64.120000000000005 110.398 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' ALA . 51.7 mttt -67.55 -41.76 83.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.57 -49.05 70.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 63.219999999999999 109.296 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -69.57 -12.72 61.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 73.530000000000001 110.954 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.972 HD22 ' OE1' ' A' ' 61' ' ' GLU . 25.8 tp -83.14 -59.0 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -68.21 -30.81 69.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 109.284 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -48.54 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 64.340000000000003 109.325 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.25 -49.84 6.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.48 1.112 . . . . 33.030000000000001 110.983 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.533 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.7 t0 -69.67 115.23 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 74.439999999999998 109.348 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -100.35 -12.56 19.34 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 123.631 1.681 . . . . 62.130000000000003 109.997 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.43 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 15.2 p-10 -100.47 -11.29 20.29 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.875 -1.059 . . . . 72.430000000000007 109.97 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 43.8 69.34 0.69 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 75.510000000000005 110.947 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -108.6 -21.47 12.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 0.788 . . . . 74.049999999999997 109.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.46 4.08 15.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 61.439999999999998 111.018 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -145.34 152.12 39.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 74.140000000000001 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.533 HD11 ' H ' ' A' ' 91' ' ' ASP . 1.4 mt -119.79 119.91 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 109.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.44 -174.57 48.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.157 . . . . 73.299999999999997 111.03 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -77.8 -36.74 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 65.430000000000007 109.251 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.18 -15.3 62.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 74.319999999999993 109.271 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -101.95 -35.98 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 17.8 t80 -80.08 -25.36 40.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 73.200000000000003 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -88.04 -11.95 45.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.51 -53.74 6.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.493 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.2 ptm -49.15 -20.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 61.210000000000001 111.006 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.737 HD11 HG13 ' A' ' 44' ' ' VAL . 1.4 pt -105.45 -39.62 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 52.530000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 16.0 tttp -66.97 -13.98 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 62.039999999999999 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.113 . . . . 42.329999999999998 110.998 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.406 ' O ' ' CG ' ' A' ' 1' ' ' MET . 29.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.023 -0.362 . . . . 41.130000000000003 110.023 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 0' ' ' SER . 16.2 ptm 39.09 30.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 73.340000000000003 111.01 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.955 ' CB ' HG23 ' A' ' 50' ' ' ILE . . . -63.11 -15.14 55.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.450000000000003 109.311 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.804 ' CD2' ' CE2' ' A' ' 71' ' ' PHE . 9.4 m-85 -77.15 -4.66 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 72.239999999999995 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.8 -15.58 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 45.240000000000002 109.251 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -114.86 -37.45 4.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 63.439999999999998 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.05 HG21 HD11 ' A' ' 50' ' ' ILE . 46.1 t -64.08 -62.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.019999999999996 109.266 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 34' ' ' CYS . 8.7 mt -117.35 -177.34 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tttt -87.42 122.71 31.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 109.308 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.87 -17.79 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 70.439999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.1 -30.67 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 70.019999999999996 109.294 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -81.59 -65.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.219999999999999 110.338 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.7 m -44.13 -38.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 63.32 109.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 16' ' ' LEU . 1.1 m -50.49 -50.73 51.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 64.329999999999998 110.401 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -28.51 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 44.219999999999999 109.296 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -75.95 -20.58 57.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 73.510000000000005 109.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.672 HD23 HD22 ' A' ' 68' ' ' LEU . 12.5 mt -83.42 -53.13 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 62.340000000000003 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -63.84 -16.4 61.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 72.019999999999996 109.276 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.06 -3.94 88.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 70.430000000000007 111.061 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -136.44 25.21 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.269 -1.012 . . . . 52.229999999999997 108.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -77.58 -15.51 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 72.450000000000003 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -81.56 109.58 16.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 73.099999999999994 109.321 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.56 140.28 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 63.200000000000003 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' CA ' ' OE1' ' A' ' 82' ' ' GLU . . . 59.28 18.3 42.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 74.109999999999999 111.015 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.648 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -123.67 11.57 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 71.140000000000001 110.003 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 8.1 t80 -88.42 144.58 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 74.310000000000002 110.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.53 152.33 50.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 72.530000000000001 109.279 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 31.7 p-80 -84.19 -62.78 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.555 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -51.62 -45.9 63.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 60.340000000000003 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' ALA . 31.2 mmtp -46.97 -66.65 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.409999999999997 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t80 -42.4 -62.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.423 ' CD2' HG23 ' A' ' 107' ' ' ILE . 22.2 m-85 -57.9 -23.61 53.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -86.68 -17.47 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 73.25 109.321 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -84.65 -58.15 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 71.340000000000003 109.269 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.875 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.5 p -66.34 -26.96 67.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 71.420000000000002 108.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.08 15.88 37.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 35.530000000000001 110.979 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.875 HD12 ' SG ' ' A' ' 34' ' ' CYS . 1.7 mt -61.56 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 74.120000000000005 109.299 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.5 t -56.48 114.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 65.129999999999995 109.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 4.57 54.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 45.200000000000003 110.969 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -72.32 -171.66 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 0.744 . . . . 73.239999999999995 109.339 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 44' ' ' VAL . 21.2 m -97.38 139.32 33.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 71.109999999999999 109.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.529 HG23 ' HZ3' ' A' ' 45' ' ' LYS . 1.5 m -52.68 -20.16 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.379 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -65.99 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 109.299 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.8 pt-20 -62.99 -41.39 99.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 75.329999999999998 110.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.773 HG13 HD11 ' A' ' 107' ' ' ILE . 55.3 t -47.95 -33.48 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 42.009999999999998 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HZ3' HG23 ' A' ' 41' ' ' THR . 18.7 mttp -75.14 -35.55 61.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 53.340000000000003 109.332 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLU . 5.9 mmmm -75.41 -21.13 58.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 70.120000000000005 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.6 -29.94 41.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 41.25 109.319 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 59' ' ' ILE . 24.6 t80 -74.4 -25.5 59.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 64.200000000000003 110.984 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.93 -3.61 33.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 61.310000000000002 109.28 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.05 HD11 HG21 ' A' ' 6' ' ' VAL . 4.7 mt -83.5 -63.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 74.420000000000002 109.33 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.3 mp -53.9 -33.69 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.32 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 55' ' ' LYS . 3.3 t0 -70.96 102.06 2.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 52.310000000000002 109.292 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.38 -12.9 12.31 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 123.667 1.699 . . . . 74.540000000000006 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 7.5 p-10 -105.94 8.26 32.45 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 117.872 -1.061 . . . . 74.230000000000004 109.981 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.2 mmtp 36.44 53.12 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 63.210000000000001 109.314 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 p -81.71 -27.09 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 107.93 -5.26 34.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.14 . . . . 54.049999999999997 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 15.3 m-85 -159.99 -171.78 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 72.420000000000002 111.003 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 59' ' ' ILE . 23.2 mt -124.85 75.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 72.400000000000006 109.298 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.0 mp0 -54.74 160.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.049999999999997 110.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -44.61 -32.18 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.293 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.42 -41.08 80.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.439999999999998 110.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' GLU . 22.6 mt-10 -72.64 -29.12 63.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.175 . . . . 72.439999999999998 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 98' ' ' ILE . 13.1 mt -59.99 -49.69 76.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 55.009999999999998 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -65.15 -12.36 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 63.109999999999999 109.303 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.07 26.58 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 70.310000000000002 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 86' ' ' PHE . 86.2 t80 -71.15 -4.33 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.5 110.957 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD22 HD23 ' A' ' 16' ' ' LEU . 14.4 mt -105.98 -25.99 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 63.030000000000001 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 37.4 mt-30 -78.25 1.54 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 42.43 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 8.6 p-10 -80.78 -48.99 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 72.400000000000006 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.804 ' CE2' ' CD2' ' A' ' 3' ' ' PHE . 92.6 m-85 -83.79 11.2 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 72.299999999999997 111.021 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 28.4 tptt -174.99 141.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.309 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.28 24.18 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 73.200000000000003 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.09 20.24 0.96 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 71.519999999999996 111.014 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -78.78 172.74 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 74.030000000000001 109.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 77' ' ' ALA . 1.4 ppt_? -94.24 179.61 5.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 71.400000000000006 110.33 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.649 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -107.03 150.46 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 73.310000000000002 109.331 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.9 mm? -73.97 152.6 40.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 72.030000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 82' ' ' GLU . 29.2 t -60.82 144.95 51.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 63.340000000000003 109.977 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -44.27 -27.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 70.430000000000007 109.328 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -85.48 -43.4 13.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 109.297 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' OE1' ' CA ' ' A' ' 23' ' ' GLY . 84.1 mt-10 -55.86 -48.38 75.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 110.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 65' ' ' LYS . 51.1 m -65.07 -17.97 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.510000000000005 110.386 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -42.24 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 64.439999999999998 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.95 -46.95 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 62.329999999999998 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' A' ' 67' ' ' PHE . 6.9 t80 -66.1 -17.54 64.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 110.989 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 64' ' ' LEU . 39.7 tp -78.27 -63.45 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.040000000000006 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -20.51 62.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 73.040000000000006 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -67.11 -29.46 69.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 61.439999999999998 109.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.92 -71.56 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 110.972 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' H ' HD11 ' A' ' 98' ' ' ILE . 5.4 t0 -47.0 121.96 4.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 74.25 109.272 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -100.52 -12.47 19.27 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 123.579 1.656 . . . . 62.329999999999998 109.995 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 10.9 p-10 -101.52 -13.33 17.94 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 117.886 -1.054 . . . . 74.450000000000003 110.001 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.441 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 52.4 54.39 27.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 61.399999999999999 111.007 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -96.53 -23.09 16.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 74.319999999999993 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.96 -7.49 16.98 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.469 1.106 . . . . 44.450000000000003 111.0 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -123.87 152.59 42.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 0.739 . . . . 74.510000000000005 109.287 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.725 HD12 HD21 ' A' ' 64' ' ' LEU . 1.9 mt -125.87 107.21 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.15 -165.18 26.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 72.420000000000002 110.957 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -80.26 -38.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 75.409999999999997 109.333 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -17.73 63.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 54.119999999999997 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.17 -39.53 8.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 65.129999999999995 110.274 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.404 ' O ' ' HG2' ' A' ' 106' ' ' MET . 42.7 t80 -75.85 -26.15 56.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 74.530000000000001 110.993 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.77 -10.19 51.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 71.400000000000006 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.1 -54.44 6.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 109.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 4.5 ptm -49.66 -20.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 63.200000000000003 110.987 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.773 HD11 HG13 ' A' ' 44' ' ' VAL . 2.0 pt -104.96 -38.04 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.275 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 45.1 tttt -68.77 -13.77 62.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 64.319999999999993 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 73.319999999999993 110.996 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.721 ' HA ' ' HB2' ' A' ' 73' ' ' ALA . 2.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.997 -0.372 . . . . 71.340000000000003 109.997 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HG3' ' HB2' ' A' ' 4' ' ' ALA . 3.4 tpt -68.09 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 75.129999999999995 110.975 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.033 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -85.68 -44.96 12.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 70.430000000000007 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.798 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.9 m-85 -53.15 -19.88 3.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 75.310000000000002 111.006 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -52.38 -21.84 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 41.520000000000003 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -99.41 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 64.5 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 50' ' ' ILE . 11.7 t -63.88 -62.8 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 74.129999999999995 109.312 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 34' ' ' CYS . 13.0 mt -106.29 -176.83 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 71.040000000000006 109.277 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 ttmp? -89.12 121.73 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 75.420000000000002 109.319 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' THR . 2.2 p30 -47.88 -27.43 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.519999999999996 109.292 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.15 -40.28 46.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 53.219999999999999 109.272 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LYS . 35.3 mm-40 -65.68 -54.54 26.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 55.310000000000002 110.28 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.1 m -61.02 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 62.329999999999998 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -46.54 -52.0 14.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 71.430000000000007 110.4 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.27 -26.85 65.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 62.409999999999997 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -73.3 -25.09 60.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 63.219999999999999 109.251 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 mt -84.31 -30.52 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 109.253 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.73 -15.9 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 71.099999999999994 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.81 -17.19 52.81 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 43.009999999999998 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 26.6 p -126.89 23.82 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.307 -0.998 . . . . 63.5 108.307 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -73.01 -41.99 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 72.129999999999995 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.4 158.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 64.040000000000006 109.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.4 155.59 27.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 70.200000000000003 109.31 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OE1' ' A' ' 82' ' ' GLU . . . 42.97 27.32 0.57 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 62.240000000000002 110.971 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -128.87 11.47 6.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 0.761 . . . . 64.140000000000001 110.012 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 t80 -86.29 122.99 31.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 74.120000000000005 111.037 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.61 91.66 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 73.209999999999994 109.327 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.547 ' HB3' ' CD1' ' A' ' 86' ' ' PHE . 4.2 p80 -40.08 -61.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 64.019999999999996 109.569 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -40.49 -49.47 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.263 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -60.44 -54.21 48.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 109.307 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.624 ' CE1' ' CE2' ' A' ' 71' ' ' PHE . 1.4 t80 -42.62 -63.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 73.340000000000003 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.74 ' CD1' HG23 ' A' ' 107' ' ' ILE . 12.5 m-85 -56.82 -36.78 70.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 74.519999999999996 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -71.15 -21.1 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 75.129999999999995 109.248 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -77.31 -61.92 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 63.350000000000001 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.897 ' HB2' HD13 ' A' ' 7' ' ' LEU . 9.1 p -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 71.340000000000003 108.313 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 99.48 -14.07 60.96 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.142 . . . . 75.010000000000005 111.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 34' ' ' CYS . 11.8 mt -40.24 -30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 71.340000000000003 109.297 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.9 t -70.09 98.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 63.399999999999999 109.969 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.68 0.95 36.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 51.299999999999997 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 16.2 mmtt -61.5 -176.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 64.150000000000006 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -82.64 137.86 34.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 70.530000000000001 109.998 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 45' ' ' LYS . 1.4 m -59.13 -15.22 13.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.371 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.86 -56.24 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.26 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.3 pt-20 -63.74 -43.96 94.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' SER . 61.9 t -41.86 -43.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.299999999999997 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.618 ' HE3' HG22 ' A' ' 41' ' ' THR . 24.4 mttt -62.35 -46.42 88.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 72.349999999999994 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' GLU . 7.6 mtmm -68.08 -20.53 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 75.239999999999995 109.339 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.99 -17.78 36.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 50.549999999999997 109.292 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 59' ' ' ILE . 38.5 t80 -85.4 -34.24 21.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 110.971 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -10.41 50.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 109.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.033 HG23 ' HB3' ' A' ' 2' ' ' ALA . 6.5 mt -68.84 -63.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.130000000000003 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 70' ' ' ASN . 1.7 mp -48.85 -58.9 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 52.219999999999999 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -40.46 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 65.319999999999993 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -88.75 -16.81 31.25 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-O 123.662 1.696 . . . . 64.420000000000002 110.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 8.3 p-10 -117.56 -20.82 8.85 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.918 -1.039 . . . . 75.120000000000005 110.003 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm 69.86 31.87 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.308 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.7 p -50.86 -24.25 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 60.409999999999997 109.985 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 58' ' ' PHE . . . 119.0 -20.95 9.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 74.25 111.041 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 25.2 m-85 -143.64 -179.13 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 73.129999999999995 110.981 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 59' ' ' ILE . 15.3 mt -119.31 77.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 60.229999999999997 109.323 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' GLU . 6.9 mp0 -49.66 159.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 71.219999999999999 110.342 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 96' ' ' GLY . 27.9 tt0 -44.51 -44.78 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 110.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -58.88 -38.84 79.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 71.340000000000003 110.296 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' GLU . 18.6 mt-10 -65.65 -40.48 92.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 98' ' ' ILE . 20.4 mt -52.0 -48.01 64.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 109.284 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.682 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -60.23 -22.22 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.329 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.7 mt -93.52 27.41 2.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 71.329999999999998 109.254 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 25' ' ' PHE . 59.9 t80 -74.88 -0.46 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.019999999999996 111.01 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.613 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.3 mt -105.33 -27.03 11.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 109.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.57 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 79.3 mt-30 -78.75 1.59 22.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . 7.7 p-10 -79.35 -48.48 13.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 73.5 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.798 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 95.6 m-85 -86.23 14.7 6.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 60.219999999999999 110.999 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 8.2 ttmt -176.86 139.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 64.049999999999997 109.303 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.721 ' HB2' ' HA ' ' A' ' 0' ' ' SER . . . -88.88 14.11 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 62.32 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -144.41 28.63 1.93 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 62.229999999999997 111.025 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 69' ' ' GLN . . . -81.09 -174.37 4.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 52.109999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HG3' HD12 ' A' ' 68' ' ' LEU . 12.4 ptt180 -105.57 -170.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 73.329999999999998 110.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 65' ' ' LYS . . . -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 62.509999999999998 109.255 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 2.4 mm? -69.41 151.59 45.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 109.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 147.36 53.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 63.229999999999997 109.983 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.58 -33.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -78.69 -52.75 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.010000000000005 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 23' ' ' GLY . 92.3 mt-10 -46.09 -44.87 15.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 71.230000000000004 110.292 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 88.4 m -69.93 -27.21 64.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 72.450000000000003 110.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ALA . 11.2 mtmt -71.49 -44.88 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.319999999999993 109.294 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.09 -46.58 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 53.409999999999997 109.289 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.558 ' CE1' ' CE ' ' A' ' 106' ' ' MET . 6.4 t80 -70.15 -13.14 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' THR . 18.9 tp -84.1 -62.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 63.43 109.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -63.98 -29.78 70.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -61.44 -29.46 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 73.25 109.284 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.5 -68.32 0.66 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 111.042 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.584 ' H ' HD11 ' A' ' 98' ' ' ILE . 6.8 t0 -56.24 105.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 72.540000000000006 109.24 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 p -74.56 -30.29 61.67 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.635 1.683 . . . . 74.299999999999997 110.025 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 14.9 p-10 -89.56 -10.92 44.32 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 117.883 -1.056 . . . . 61.439999999999998 109.956 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 44.19 55.83 5.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 63.109999999999999 110.999 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -93.22 -22.94 18.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.769 . . . . 52.539999999999999 109.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 123.64 -13.97 8.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 64.140000000000001 110.984 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -121.33 143.41 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 74.329999999999998 109.285 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 HD21 ' A' ' 64' ' ' LEU . 2.6 mt -119.28 104.72 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 53.240000000000002 109.336 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 103' ' ' PHE . . . -74.8 -163.67 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 111.008 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -82.7 -46.57 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 73.239999999999995 109.253 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -56.03 -28.5 57.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.5 109.301 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.6 mt-10 -91.64 -48.05 7.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 75.510000000000005 110.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 47.3 t80 -59.63 -25.48 64.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 73.5 111.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -87.87 -10.15 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 54.329999999999998 109.292 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -78.05 -54.01 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 71.530000000000001 109.266 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.558 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 4.6 ptm -51.88 -18.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 61.43 111.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 31' ' ' PHE . 1.3 pt -106.97 -34.95 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 74.319999999999993 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.489 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 51.2 tttt -71.57 -15.31 62.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.284 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 54.130000000000003 111.03 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.871 ' H2 ' ' N ' ' A' ' 73' ' ' ALA . 15.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.007 -0.368 . . . . 60.210000000000001 110.007 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmm -107.78 73.01 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 75.400000000000006 111.046 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.936 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.33 -34.71 16.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 73.299999999999997 109.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.2 m-85 -71.0 -6.0 35.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.004 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.84 -14.83 37.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 53.409999999999997 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.32 -49.08 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 110.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.94 -62.92 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 64.200000000000003 109.301 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD13 ' HB2' ' A' ' 34' ' ' CYS . 2.5 mt -110.24 174.55 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 63.530000000000001 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.24 132.82 33.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' THR . 52.5 m-20 -53.08 -38.02 62.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 64.109999999999999 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.2 87.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 52.140000000000001 109.284 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.92 -61.47 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 71.409999999999997 110.285 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 8.9 m -56.58 -34.79 42.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 73.209999999999994 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.1 m -50.78 -44.88 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 72.340000000000003 110.366 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -29.04 65.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 72.530000000000001 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' VAL . . . -78.99 -21.19 47.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 74.109999999999999 109.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 mt -85.93 -30.92 22.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 61.420000000000002 109.276 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.95 -28.32 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 52.219999999999999 109.296 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.7 -11.05 83.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 43.119999999999997 111.002 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -126.12 24.15 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.304 -0.999 . . . . 71.239999999999995 108.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -73.8 -22.74 59.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 62.25 109.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -84.57 139.87 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 53.210000000000001 109.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.42 139.54 51.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 74.319999999999993 109.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.75 18.47 56.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 75.329999999999998 110.977 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.558 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 4.0 p -111.77 -21.14 11.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 73.319999999999993 109.945 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 1.5 t80 -53.62 136.38 39.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 62.140000000000001 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 12.4 t0 -138.86 94.08 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 62.399999999999999 109.266 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.705 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 29.9 p-80 -43.8 -56.69 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.624 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 10.7 ptmt -40.7 -47.72 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.540000000000006 109.313 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 7.2 mmpt? -66.05 -57.3 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 62.310000000000002 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 4.5 t80 -39.61 -63.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.977 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.595 ' CG ' ' CG2' ' A' ' 107' ' ' ILE . 9.0 m-85 -51.64 -35.54 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 73.019999999999996 111.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -77.47 -22.23 51.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 70.140000000000001 109.317 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -76.15 -61.88 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 61.020000000000003 109.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.859 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -61.85 -20.14 63.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.010000000000005 108.292 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.04 -10.32 60.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 34.119999999999997 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -40.21 -30.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.239999999999995 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' GLY . 3.6 p -71.8 114.48 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 110.026 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.91 -16.35 60.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -54.8 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 72.319999999999993 109.309 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -97.92 138.07 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 73.219999999999999 109.998 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.664 HG22 ' HE3' ' A' ' 45' ' ' LYS . 2.8 m -53.38 -19.65 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 62.530000000000001 110.402 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -62.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.2 pt-20 -58.7 -43.18 89.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 73.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.705 HG13 HD11 ' A' ' 107' ' ' ILE . 56.1 t -40.47 -50.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 41' ' ' THR . 19.2 mttt -61.25 -52.57 64.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 71.430000000000007 109.299 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -57.67 -20.48 34.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 75.530000000000001 109.33 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -86.1 -37.91 18.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 54.43 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 9.0 t80 -66.26 -20.9 66.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.15 -5.86 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 12.0 mm -75.86 -53.68 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.200000000000003 109.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.67 -65.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 74.329999999999998 109.339 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' CD ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -40.16 103.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 73.239999999999995 109.285 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -89.13 -15.12 34.61 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 123.634 1.683 . . . . 72.549999999999997 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.8 p-10 -118.52 -3.03 10.93 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 117.925 -1.036 . . . . 75.129999999999995 109.994 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HA ' ' HZ3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER 41.86 38.08 0.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 65.319999999999993 109.302 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.407 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.0 p -53.6 -20.11 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 72.430000000000007 109.963 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.99 -25.86 6.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.144 . . . . 64.400000000000006 111.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 39.5 m-85 -146.11 164.54 31.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 74.140000000000001 111.008 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.525 HG13 ' CE2' ' A' ' 48' ' ' PHE . 57.1 mt -98.6 85.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 60.219999999999999 109.301 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -57.49 160.45 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 73.129999999999995 110.337 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' GLY . 14.0 tm-20 -47.17 -49.79 21.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 63.200000000000003 110.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -56.75 -28.64 61.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 71.510000000000005 110.269 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -83.0 -32.51 26.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 73.5 110.346 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.919 HD21 HD12 ' A' ' 98' ' ' ILE . 10.0 mt -55.34 -50.75 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 65.030000000000001 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -58.46 -17.25 19.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.361 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.55 HD22 ' CD ' ' A' ' 69' ' ' GLN . 77.3 mt -94.75 27.46 3.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.583 ' CG ' ' CE2' ' A' ' 86' ' ' PHE . 25.2 t80 -74.08 -1.16 18.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 74.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.654 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.7 mt -118.02 -7.8 10.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 75.030000000000001 109.316 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.55 ' CD ' HD22 ' A' ' 66' ' ' LEU . 28.4 mt-30 -88.05 1.56 53.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.6 p30 -85.15 -45.78 11.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 74.140000000000001 109.334 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.788 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 52.3 m-85 -81.72 4.34 22.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 75.030000000000001 111.021 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 73' ' ' ALA . 4.3 tppp? -175.17 151.45 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 72.349999999999994 109.259 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.871 ' N ' ' H2 ' ' A' ' 0' ' ' SER . . . -101.39 22.83 11.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 74.049999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.07 18.82 1.21 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 74.5 111.006 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -86.5 140.61 29.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 0.744 . . . . 55.420000000000002 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 25' ' ' PHE . 13.8 ptt180 -50.41 -178.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 72.439999999999998 110.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.99 122.68 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.430000000000007 109.257 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.73 134.24 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 70.129999999999995 109.301 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.5 t -60.62 167.17 2.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.219999999999999 109.999 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -19.31 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 74.510000000000005 109.312 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.16 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 55.43 109.291 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -46.47 -43.63 16.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 64.129999999999995 110.258 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.46 HG23 ' HB3' ' A' ' 64' ' ' LEU . 20.7 m -66.15 -29.66 70.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.392 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ALA . 45.3 mttt -71.2 -41.67 69.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 74.209999999999994 109.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -65.89 -48.98 69.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 54.149999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CE2' ' CG ' ' A' ' 67' ' ' PHE . 8.1 t80 -66.23 -15.67 63.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 71.549999999999997 111.017 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 64' ' ' LEU . 62.3 tp -84.08 -56.92 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.273 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -72.0 -19.92 61.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.340000000000003 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.705 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -62.21 -39.92 94.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.340000000000003 109.306 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -111.39 -55.17 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.479 1.112 . . . . 53.32 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 4.5 t0 -56.78 100.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 75.120000000000005 109.268 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t -94.1 5.55 51.37 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 123.666 1.698 . . . . 71.129999999999995 110.04 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.79 4.98 8.79 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.938 -1.03 . . . . 72.109999999999999 109.979 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.19 69.99 0.26 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 31.440000000000001 111.013 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -111.77 6.97 20.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 75.349999999999994 109.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . 72.85 2.51 57.43 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 63.32 111.025 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.469 ' HE3' ' CB ' ' A' ' 58' ' ' PHE . 7.7 mtpt -133.92 157.11 46.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 63.5 109.341 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.919 HD12 HD21 ' A' ' 64' ' ' LEU . 2.4 mt -127.91 105.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 61.140000000000001 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.15 -165.54 15.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 110.986 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.89 -37.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.767 . . . . 74.439999999999998 109.319 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -23.88 65.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE1' ' OD1' ' A' ' 91' ' ' ASP . 13.5 mt-10 -94.14 -41.67 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 40.1 t80 -68.98 -30.49 68.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.012 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.63 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -87.26 -7.54 57.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.120000000000005 109.335 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.09 -55.32 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE2' ' HE1' ' A' ' 86' ' ' PHE . 4.7 ptm -48.45 -22.42 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 72.25 111.022 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.705 HD11 HG13 ' A' ' 44' ' ' VAL . 4.0 pt -102.17 -40.88 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 75.329999999999998 109.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 29.1 ttpt -64.78 -15.39 61.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 61.140000000000001 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.158 . . . . 72.120000000000005 110.997 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.476 ' H1 ' ' HB2' ' A' ' 73' ' ' ALA . 14.1 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.983 -0.377 . . . . 60.229999999999997 109.983 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -65.46 73.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 62.200000000000003 110.982 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -89.12 -43.05 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.151 ' CD2' HG21 ' A' ' 50' ' ' ILE . 8.9 m-85 -53.72 -19.0 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 75.400000000000006 111.013 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.73 -20.81 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 62.340000000000003 109.32 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -93.65 -49.7 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 70.129999999999995 109.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.21 -62.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 74.010000000000005 109.299 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.693 HD12 ' CD1' ' A' ' 3' ' ' PHE . 4.7 mt -99.64 -176.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 73.349999999999994 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 25.4 tptt -90.06 121.29 32.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 70.140000000000001 109.351 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 13' ' ' THR . 1.4 p30 -46.71 -38.59 10.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 73.109999999999999 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -37.42 81.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 54.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 23.9 mt-10 -65.73 -58.19 6.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 74.219999999999999 110.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.9 m -61.19 -37.63 77.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 70.530000000000001 109.296 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 1.2 m -50.72 -53.79 28.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 62.420000000000002 110.386 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -27.82 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 75.299999999999997 109.304 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -72.65 -29.75 63.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 65.239999999999995 109.3 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 71' ' ' PHE . 9.0 mt -77.58 -46.24 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 73.140000000000001 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -70.76 -32.14 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.099999999999994 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.68 -12.77 35.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.83 31.03 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.284 -1.006 . . . . 62.149999999999999 108.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -65.25 -16.05 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 61.020000000000003 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.605 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -97.18 170.67 8.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.88 137.64 41.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 51.140000000000001 109.302 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.8 -8.88 64.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 42.409999999999997 110.993 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.605 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 44.6 p -102.85 17.67 23.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 75.329999999999998 110.036 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.5 t80 -92.59 128.74 38.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 73.409999999999997 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 3.7 t0 -136.17 95.09 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 72.450000000000003 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.501 ' NE2' ' CB ' ' A' ' 89' ' ' ALA . 46.3 p-80 -40.05 -58.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 75.200000000000003 109.652 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -40.53 -51.48 2.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 109.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 24.6 mmtp -61.98 -60.56 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 70.409999999999997 109.283 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -39.22 -63.39 0.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 71.209999999999994 111.02 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 45.4 m-85 -58.76 -26.9 64.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 65.140000000000001 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.1 mttt -79.76 -21.4 44.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.150000000000006 109.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -77.33 -61.9 1.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 62.32 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -62.62 -19.39 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 63.200000000000003 108.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 97.37 -6.88 63.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.137 . . . . 74.049999999999997 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HG ' HD11 ' A' ' 7' ' ' LEU . 9.7 mt -40.49 -29.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 53.420000000000002 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.444 ' N ' ' C ' ' A' ' 35' ' ' GLY . 2.5 p -66.35 -52.57 45.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 63.140000000000001 110.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -84.8 2.42 88.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 61.399999999999999 111.003 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -69.01 177.72 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 109.304 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -87.91 137.91 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.25 109.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -56.69 -17.07 7.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 52.130000000000003 110.394 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -68.97 -63.44 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.7 pt-20 -54.46 -39.92 67.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 110.273 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 107' ' ' ILE . 79.2 t -42.9 -49.74 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.319999999999993 109.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -55.94 -41.7 75.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 75.25 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLU . 10.0 mtpt -68.11 -30.63 69.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 63.130000000000003 109.348 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.494 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -70.1 -40.44 74.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' C ' ' CD2' ' A' ' 48' ' ' PHE . 2.8 t80 -55.79 -22.84 26.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 73.310000000000002 110.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.9 -29.57 23.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 73.439999999999998 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.151 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.2 mm -51.64 -55.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 72.299999999999997 109.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -66.59 -70.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 71.239999999999995 109.309 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.84 103.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -77.26 -12.98 60.01 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 123.634 1.683 . . . . 73.219999999999999 110.315 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.498 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 2.5 p30 -119.14 -34.13 3.95 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 117.891 -1.052 . . . . 74.310000000000002 109.985 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.498 ' CD ' ' C ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 67.13 56.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 61.32 109.32 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -71.62 -22.9 61.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 110.008 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 134.25 -26.65 3.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 60.509999999999998 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -141.78 158.08 44.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 64.319999999999993 110.998 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 63' ' ' GLU . 32.6 mt -95.86 82.71 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 109.276 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.31 156.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.25 110.298 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -48.89 -25.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 63.43 110.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -68.52 -39.79 81.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.140000000000001 110.333 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 59' ' ' ILE . 5.4 mt-10 -73.44 -39.13 65.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 110.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.739 HD12 HD13 ' A' ' 87' ' ' LEU . 12.2 mt -48.96 -46.37 43.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 61.420000000000002 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.9 -27.34 67.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 64.400000000000006 109.303 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 63' ' ' GLU . 11.5 mt -92.89 26.73 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.474 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 t80 -70.68 -4.9 25.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 72.349999999999994 110.964 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.697 HD12 ' HG3' ' A' ' 76' ' ' ARG . 14.1 mt -103.8 -21.06 13.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 72.310000000000002 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' LYS . 79.3 mt-30 -79.44 1.69 24.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 110.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.65 ' HB3' HG23 ' A' ' 51' ' ' ILE . 10.1 p-10 -81.33 -46.41 14.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 74.409999999999997 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CB ' HD11 ' A' ' 16' ' ' LEU . 21.7 m-85 -83.0 8.92 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 62.43 110.983 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' GLN . 10.2 tttm -177.78 143.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 63.539999999999999 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HB2' ' H1 ' ' A' ' 0' ' ' SER . . . -92.77 31.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.94 27.46 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.12 . . . . 64.239999999999995 110.99 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -83.93 172.24 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 62.329999999999998 109.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.697 ' HG3' HD12 ' A' ' 68' ' ' LEU . 8.3 ptt180 -76.75 -172.81 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 61.140000000000001 110.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.41 122.52 25.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm? -48.38 166.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 74.409999999999997 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.2 t -100.53 173.69 6.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 71.310000000000002 109.979 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -58.3 -18.28 25.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 74.510000000000005 109.328 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.13 -66.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 70.340000000000003 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -46.81 -54.53 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 110.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -56.15 -33.53 65.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 110.403 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 10.8 mtpt -68.95 -41.22 78.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 73.25 109.329 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -68.25 -35.25 77.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.317 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CD1' HD22 ' A' ' 64' ' ' LEU . 7.1 t80 -84.47 -17.99 37.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.999 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.739 HD13 HD12 ' A' ' 64' ' ' LEU . 58.3 tp -81.54 -49.99 9.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 72.310000000000002 109.307 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -21.52 63.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 71.439999999999998 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' NE2' ' A' ' 27' ' ' HIS . . . -60.58 -67.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.261 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.94 -64.43 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 52.229999999999997 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 3.8 t0 -45.01 121.49 2.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 64.510000000000005 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.43 -54.32 3.43 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 123.629 1.681 . . . . 73.420000000000002 110.006 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -85.07 10.76 11.15 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.903 -1.046 . . . . 63.350000000000001 110.023 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 91' ' ' ASP . . . 38.15 69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 33.229999999999997 111.024 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -103.79 15.38 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 64.530000000000001 109.255 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.23 13.32 76.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 54.100000000000001 111.048 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -143.93 151.87 40.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 74.129999999999995 109.264 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.607 HD12 HD21 ' A' ' 64' ' ' LEU . 3.5 mt -126.07 114.93 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 75.519999999999996 109.308 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.83 176.07 54.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 111.012 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.623 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -70.39 -38.27 73.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 74.129999999999995 109.306 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -22.5 66.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -95.74 -29.6 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 72.319999999999993 110.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -80.07 -26.78 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.595 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -85.89 -15.1 42.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 65.540000000000006 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.52 -51.07 8.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 62.340000000000003 109.315 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 86' ' ' PHE . 5.4 ptm -54.51 -18.18 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 110.999 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.767 HD11 HG11 ' A' ' 44' ' ' VAL . 27.3 pt -101.03 -45.51 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 70.299999999999997 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.41 60.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 63.039999999999999 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 63.039999999999999 111.014 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.005 -0.368 . . . . 74.040000000000006 110.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.742 ' HG3' ' HB2' ' A' ' 4' ' ' ALA . 2.8 ptm -134.33 -178.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 73.329999999999998 110.971 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.791 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 52.210000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.987 ' CD1' HG21 ' A' ' 50' ' ' ILE . 8.0 m-85 -58.73 -15.07 10.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 74.430000000000007 110.985 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.742 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -53.71 -20.75 5.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.299999999999997 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -94.12 -43.93 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 63.119999999999997 109.971 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.62 -62.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 70.310000000000002 109.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.27 -176.56 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 123.92 33.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.219999999999999 109.316 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -62.47 -15.87 52.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 73.239999999999995 109.299 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.11 -19.16 32.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 45.240000000000002 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' THR . 46.5 mt-10 -87.79 -65.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 71.430000000000007 110.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.657 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 m -44.34 -28.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -45.6 -51.03 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 73.510000000000005 110.379 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' N ' ' CG2' ' A' ' 13' ' ' THR . . . -55.86 -31.45 62.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 64.340000000000003 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.758 ' HB1' ' CD1' ' A' ' 30' ' ' PHE . . . -74.38 -24.18 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.120000000000005 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.58 -33.69 23.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 73.439999999999998 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -90.77 -17.46 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 72.099999999999994 109.268 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -70.39 -5.04 53.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 71.530000000000001 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 p -137.67 22.26 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.293 -1.003 . . . . 43.340000000000003 108.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -56.97 -20.18 22.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 63.210000000000001 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 147.88 22.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.5 155.29 31.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 109.357 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.83 23.14 2.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 60.109999999999999 111.039 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.2 19.42 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.340000000000003 110.031 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 16.6 t80 -85.27 136.37 33.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 73.420000000000002 110.991 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 70.8 m-20 -126.76 111.65 14.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 63.420000000000002 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.619 ' CD2' ' N ' ' A' ' 28' ' ' LYS . 2.9 p-80 -66.39 -58.15 5.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.120000000000005 109.581 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.619 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 13.7 ptmt -44.12 -48.75 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 73.129999999999995 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.6 ' HZ2' ' HD3' ' A' ' 28' ' ' LYS . 1.5 mptt -61.47 -51.83 67.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 71.239999999999995 109.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.758 ' CD1' ' HB1' ' A' ' 15' ' ' ALA . 1.6 t80 -44.68 -64.2 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 110.983 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.71 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 68.7 m-85 -47.84 -28.34 2.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.299999999999997 111.012 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLY . 4.3 tmtt? -75.16 -61.98 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 55.030000000000001 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -21.11 23.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.239999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.657 ' SG ' HG12 ' A' ' 12' ' ' VAL . 1.7 m -87.92 -24.79 23.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 73.340000000000003 108.298 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . 98.21 -19.28 55.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 63.109999999999999 110.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.4 mt -45.56 -56.0 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 73.5 109.249 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 t -58.23 102.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 71.019999999999996 110.048 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.67 -26.71 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 51.539999999999999 110.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.52 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 55.530000000000001 109.298 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -89.02 138.18 31.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 45.25 109.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -58.16 -16.02 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 64.430000000000007 110.407 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -70.48 -60.69 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 65.430000000000007 109.318 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LYS . 5.8 pt-20 -58.7 -39.31 80.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 110.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG11 ' CB ' ' A' ' 104' ' ' ALA . 36.6 t -40.33 -48.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 72.030000000000001 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 43.5 mttt -60.03 -47.3 86.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 72.420000000000002 109.271 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 6.3 mtpt -64.0 -20.61 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 61.530000000000001 109.326 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 44' ' ' VAL . . . -81.45 -33.92 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 50.439999999999998 109.272 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 59' ' ' ILE . 28.7 t80 -67.59 -20.71 65.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 72.040000000000006 111.026 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.888 ' HB1' ' HZ1' ' A' ' 55' ' ' LYS . . . -85.78 -3.57 58.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 70.329999999999998 109.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.987 HG21 ' CD1' ' A' ' 3' ' ' PHE . 11.4 mm -83.37 -54.28 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 53.130000000000003 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.1 mt -65.36 -45.51 93.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 75.409999999999997 109.356 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD2' ' CZ ' ' A' ' 48' ' ' PHE . 2.7 m-20 -66.35 103.57 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 71.430000000000007 109.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -97.23 -12.84 22.49 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.657 1.694 . . . . 62.299999999999997 110.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 11.5 p30 -104.61 -10.65 17.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.901 -1.047 . . . . 71.219999999999999 109.992 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.888 ' HZ1' ' HB1' ' A' ' 49' ' ' ALA . 3.8 mmmt 40.03 52.66 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 71.120000000000005 109.322 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -31.06 51.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 53.310000000000002 110.013 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 139.09 -55.65 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 64.019999999999996 110.949 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -126.73 138.84 53.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 73.099999999999994 110.995 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 48' ' ' PHE . 86.8 mt -75.74 91.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 75.340000000000003 109.301 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -60.59 161.39 7.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 70.219999999999999 110.281 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 64' ' ' LEU . 84.1 tt0 -52.35 -25.99 11.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 73.239999999999995 110.279 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -73.88 -31.28 63.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' HA ' HD12 ' A' ' 66' ' ' LEU . 45.1 mt-10 -88.58 -12.93 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 72.109999999999999 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 98' ' ' ILE . 8.8 mt -66.46 -48.22 70.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 53.520000000000003 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -61.74 -14.59 33.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 75.120000000000005 109.282 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD23 ' HG3' ' A' ' 65' ' ' LYS . 7.6 mt -92.71 27.45 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 74.219999999999999 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.71 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 87.6 t80 -76.88 1.82 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 72.310000000000002 111.017 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' CE2' ' A' ' 30' ' ' PHE . 33.6 mt -117.98 -7.82 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 72.340000000000003 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 72' ' ' LYS . 80.6 mt-30 -88.96 1.68 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 72.299999999999997 110.288 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.6 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 7.7 p30 -84.81 -45.63 12.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 73.25 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 70' ' ' ASN . 52.3 m-85 -81.57 5.57 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 63.030000000000001 111.016 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' GLN . 2.3 ttmt 179.51 158.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 75.140000000000001 109.33 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.57 25.49 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.321 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.92 13.83 2.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 53.140000000000001 111.011 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -87.49 141.99 28.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 64.010000000000005 109.303 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.86 -173.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 73.019999999999996 110.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -128.28 126.68 41.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 109.293 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.638 ' H ' HD22 ' A' ' 78' ' ' LEU . 1.8 mm? -46.94 145.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.447 ' C ' ' N ' ' A' ' 81' ' ' ALA . 26.8 t -65.78 149.84 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 73.420000000000002 110.034 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.67 -29.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 75.230000000000004 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' A' ' 79' ' ' SER . . . -81.68 -56.26 4.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -48.69 -26.05 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 75.420000000000002 110.315 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 64' ' ' LEU . 8.0 m -87.22 -28.97 22.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 64.230000000000004 110.41 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' ALA . 25.1 mttp -57.95 -49.32 77.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 72.120000000000005 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.905 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.13 -16.3 63.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 70.450000000000003 109.29 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -84.95 -19.98 31.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 53.509999999999998 111.005 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 98' ' ' ILE . 57.4 tp -83.75 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 62.219999999999999 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -57.68 -18.94 23.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 73.530000000000001 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.905 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -63.94 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 63.350000000000001 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -87.11 -49.0 4.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 71.219999999999999 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' LEU . 24.8 t0 -60.21 84.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -72.62 -54.65 8.51 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 123.657 1.694 . . . . 42.539999999999999 110.026 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 94' ' ' GLY . 6.9 p30 -60.47 -21.24 62.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 117.923 -1.037 . . . . 50.420000000000002 109.996 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 48.12 70.25 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 60.130000000000003 110.99 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.3 -17.74 17.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 73.329999999999998 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.441 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 121.73 5.36 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 74.150000000000006 111.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 5.8 mtmm -150.82 -179.47 7.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 62.520000000000003 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 64' ' ' LEU . 2.2 mt -135.3 107.07 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.150000000000006 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.22 -162.42 35.71 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.569 1.168 . . . . 41.329999999999998 111.025 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.488 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.44 -51.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 73.200000000000003 109.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -52.1 -27.88 15.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.305 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 32.0 mt-10 -88.31 -45.28 10.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 71.439999999999998 110.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 106' ' ' MET . 46.5 t80 -59.22 -29.64 67.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 110.958 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.76 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.63 -7.19 58.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.310000000000002 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -82.17 -54.63 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.467 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 3.6 ptm -52.08 -22.96 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 52.310000000000002 111.044 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 104' ' ' ALA . 20.2 pt -96.55 -43.65 12.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -64.51 -18.0 64.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 70.109999999999999 111.013 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 2' ' ' ALA . 11.1 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.051 -0.351 . . . . 73.219999999999999 110.051 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptp -43.73 95.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 70.329999999999998 110.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.845 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -79.43 -45.22 19.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 62.229999999999997 109.304 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.125 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.5 m-85 -52.84 -19.61 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.219999999999999 110.957 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.571 ' HB1' ' OD2' ' A' ' 9' ' ' ASP . . . -53.16 -21.26 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 73.109999999999999 109.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -98.62 -45.22 6.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 71.530000000000001 109.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 t -63.66 -62.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 109.261 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.781 HD13 ' SG ' ' A' ' 34' ' ' CYS . 2.4 mt -105.87 -177.23 3.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' CG ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -85.92 128.92 34.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 74.420000000000002 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.571 ' OD2' ' HB1' ' A' ' 4' ' ' ALA . 2.0 m-20 -55.14 -33.01 62.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 62.229999999999997 109.343 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.05 -23.55 55.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 75.430000000000007 109.298 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 8' ' ' LYS . 68.1 mt-10 -79.04 -51.17 9.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 70.329999999999998 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.649 HG12 ' SG ' ' A' ' 34' ' ' CYS . 12.2 m -68.31 -33.09 58.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 70.329999999999998 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -54.58 -50.6 67.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.38 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.59 -19.63 62.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 74.030000000000001 109.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -86.72 -28.91 22.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 74.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 71' ' ' PHE . 8.7 mt -75.06 -34.05 61.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 61.329999999999998 109.333 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -84.35 -20.19 32.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 109.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.1 -8.2 48.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 111.011 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 76' ' ' ARG . 3.9 m -136.56 27.91 3.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.281 -1.007 . . . . 72.349999999999994 108.281 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -55.75 -45.21 78.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 74.109999999999999 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.02 -174.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 65.430000000000007 109.272 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.93 133.48 55.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 63.240000000000002 109.254 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.13 -14.67 52.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 64.540000000000006 110.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.24 -6.93 57.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 55.350000000000001 110.039 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.2 t80 -52.37 125.05 14.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 65.319999999999993 111.001 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.433 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -129.71 82.15 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 72.439999999999998 109.338 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 86' ' ' PHE . 11.0 p-80 -40.04 -62.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.540000000000006 109.563 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 10.7 pttp -40.79 -52.54 2.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ALA . 28.4 mmtp -56.16 -45.34 79.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 109.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 71' ' ' PHE . 1.9 t80 -53.23 -63.81 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 74.200000000000003 111.015 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 67' ' ' PHE . 85.1 m-85 -58.53 -29.03 66.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 71.5 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -80.12 -19.22 47.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 72.030000000000001 109.276 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -82.13 -57.8 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' A' ' 7' ' ' LEU . 7.8 t -65.32 -26.9 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 108.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 103.99 -5.57 46.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.14 . . . . 71.239999999999995 111.0 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 6.8 mt -45.57 -28.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 70.329999999999998 109.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 p -66.0 -43.44 87.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 71.200000000000003 109.984 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -93.38 6.58 75.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.103 . . . . 54.049999999999997 110.981 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 19.4 mmtt -73.38 -178.82 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 72.430000000000007 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' VAL . 67.1 m -97.52 137.86 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 73.109999999999999 109.979 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.032 HG22 ' NZ ' ' A' ' 45' ' ' LYS . 18.4 m -53.57 -19.52 3.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 52.119999999999997 110.427 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -63.27 -60.07 3.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 70.409999999999997 109.285 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 47' ' ' ALA . 5.9 pt-20 -61.99 -38.28 88.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 43.140000000000001 110.32 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.691 HG11 ' CB ' ' A' ' 104' ' ' ALA . 70.9 t -42.66 -48.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.032 ' NZ ' HG22 ' A' ' 41' ' ' THR . 22.5 mttp -58.03 -46.38 85.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 73.109999999999999 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -67.82 -20.72 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 74.25 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -82.95 -33.02 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 53.030000000000001 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' CE1' HG13 ' A' ' 59' ' ' ILE . 39.5 t80 -62.79 -21.87 66.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 74.310000000000002 111.004 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -18.16 35.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 71.400000000000006 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.125 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.3 mm -64.92 -48.83 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.252 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -76.6 -66.94 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 71.340000000000003 109.268 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -40.01 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 63.340000000000003 109.271 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 31.4 mt-30 -94.26 -50.9 5.05 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.62 1.676 . . . . 74.129999999999995 110.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 13.2 p30 -62.47 -28.47 69.85 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.888 -1.054 . . . . 75.030000000000001 109.994 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 10.3 mmmm 69.28 23.92 6.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.304 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -18.41 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 64.049999999999997 109.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.24 -23.55 35.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 111.012 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -134.61 120.77 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 63.409999999999997 111.039 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.954 HG23 ' HB3' ' A' ' 63' ' ' GLU . 64.4 mt -70.34 92.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 65.329999999999998 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 63' ' ' GLU . 11.2 mt-10 -65.01 160.58 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 63.32 110.324 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.621 ' HG3' HD22 ' A' ' 87' ' ' LEU . 17.3 tt0 -45.09 -33.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.8 -39.1 84.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 73.540000000000006 110.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.954 ' HB3' HG23 ' A' ' 59' ' ' ILE . 9.6 mt-10 -68.2 -40.11 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 64.109999999999999 110.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 87' ' ' LEU . 35.2 mt -54.58 -48.28 72.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 63.340000000000003 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB2' HG21 ' A' ' 83' ' ' THR . 13.6 ttmt -60.67 -16.04 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 75.239999999999995 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.8 27.17 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 70.120000000000005 109.27 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 31' ' ' PHE . 33.5 t80 -71.33 -4.13 24.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 62.25 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.2 mt -103.95 -21.96 13.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 55.0 mt-30 -78.61 2.01 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 51.409999999999997 110.292 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.615 ' HB3' HG23 ' A' ' 51' ' ' ILE . 9.4 p-10 -81.3 -48.16 12.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 30' ' ' PHE . 22.3 m-85 -80.71 6.53 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.450000000000003 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 69' ' ' GLN . 18.9 tptt -175.36 143.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 62.43 109.3 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.9 23.03 3.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 73.129999999999995 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.73 19.42 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.561 1.163 . . . . 63.25 111.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -75.82 167.45 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 50.340000000000003 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 19' ' ' CYS . 9.7 ptt180 -79.84 -170.65 2.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 64.25 110.317 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 65' ' ' LYS . . . -126.09 133.85 51.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.129999999999995 109.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 25' ' ' PHE . 2.1 mm? -55.97 163.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 61.229999999999997 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.428 ' CB ' ' OE1' ' A' ' 82' ' ' GLU . 33.2 t -76.91 158.74 30.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 70.230000000000004 109.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -53.5 -23.22 9.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 74.340000000000003 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.27 -56.79 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 52.039999999999999 109.33 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 79' ' ' SER . 5.7 mt-10 -43.76 -48.3 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.519999999999996 110.291 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 59.7 m -61.03 -33.6 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 74.420000000000002 110.361 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.842 ' CE ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.65 -41.84 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 62.530000000000001 109.28 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -70.15 -32.44 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 62.549999999999997 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.652 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 5.6 t80 -89.15 -13.6 38.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 64.340000000000003 111.058 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.842 HD23 ' CE ' ' A' ' 84' ' ' LYS . 25.8 tp -84.21 -45.1 13.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 71.200000000000003 109.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.85 -33.76 45.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 54.100000000000001 109.246 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.6 -47.7 69.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 63.140000000000001 109.316 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.92 -55.82 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.443 1.089 . . . . 64.329999999999998 110.998 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.56 ' H ' HD11 ' A' ' 98' ' ' ILE . 7.1 t0 -70.94 113.81 8.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 61.310000000000002 109.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -100.63 -31.88 11.02 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.010000000000005 109.994 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 13.3 p-10 -75.16 -12.59 60.33 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.891 -1.052 . . . . 62.340000000000003 109.976 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 49.36 58.9 7.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 74.129999999999995 110.994 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -98.78 -23.11 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 53.329999999999998 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 116.58 -5.97 18.7 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.553 1.158 . . . . 54.32 111.028 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -134.41 165.03 26.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 65.109999999999999 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.56 HD11 ' H ' ' A' ' 91' ' ' ASP . 2.3 mt -128.98 108.92 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 109.314 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.69 -168.91 16.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 62.140000000000001 110.959 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -78.56 -51.95 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.774 . . . . 72.430000000000007 109.339 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.3 OUTLIER -50.43 -28.39 8.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.409999999999997 109.318 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 3.1 mt-10 -87.16 -44.33 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.305 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' O ' ' HG2' ' A' ' 106' ' ' MET . 28.2 t80 -58.84 -31.51 68.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.140000000000001 110.992 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.691 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -86.7 -5.64 59.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 55.020000000000003 109.253 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -83.67 -54.37 4.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 32.100000000000001 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.556 ' CE ' ' CE1' ' A' ' 86' ' ' PHE . 3.6 ptm -52.29 -21.96 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 51.119999999999997 111.032 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 104' ' ' ALA . 17.5 pt -96.96 -43.3 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 70.329999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -63.33 -20.62 65.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 32.509999999999998 110.979 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.675 ' N ' ' HB2' ' A' ' 73' ' ' ALA . 15.2 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.979 -0.378 . . . . 70.340000000000003 109.979 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp -61.17 85.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 55.539999999999999 111.031 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.989 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -74.88 -43.21 55.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 71.150000000000006 109.312 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.118 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 m-85 -59.27 -14.84 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 111.024 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.56 -22.37 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 35.509999999999998 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 m -101.18 -39.06 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 73.409999999999997 109.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG12 ' HG ' ' A' ' 7' ' ' LEU . 97.5 t -63.72 -62.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 53.340000000000003 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 34' ' ' CYS . 7.7 mt -110.39 178.22 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 73.430000000000007 109.253 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.3 tppp? -79.87 119.27 22.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.5 p30 -49.51 -29.04 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.200000000000003 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.28 55.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 74.010000000000005 109.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mm-40 -70.58 -60.59 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 74.400000000000006 110.324 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.3 m -53.8 -39.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 73.430000000000007 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -46.4 -52.44 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.520000000000003 110.407 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -25.17 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 73.400000000000006 109.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -76.43 -22.08 55.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 53.109999999999999 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.574 HD23 HD22 ' A' ' 68' ' ' LEU . 9.1 mt -85.16 -42.0 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 71.349999999999994 109.262 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -71.92 -15.72 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 63.420000000000002 109.285 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.8 -23.81 63.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.473 1.108 . . . . 65.409999999999997 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' SG ' ' CD1' ' A' ' 25' ' ' PHE . 8.9 t -107.98 -21.48 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.237 -1.023 . . . . 65.200000000000003 108.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -40.39 -29.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 54.109999999999999 109.263 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' HB3' ' HB3' ' A' ' 24' ' ' SER . . . -69.65 95.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.71 139.79 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 51.140000000000001 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.28 20.71 58.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 34.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.649 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 1.2 t -130.22 13.07 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 65.409999999999997 109.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 4.5 t80 -63.17 114.15 3.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 110.97 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 2.7 m-20 -113.59 74.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 72.430000000000007 109.322 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG3' ' A' ' 28' ' ' LYS . 18.8 p80 -40.12 -50.92 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 65.349999999999994 109.627 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 25.9 mttm -51.45 -48.68 62.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.304 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 4.6 mmpt? -60.17 -58.44 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 71' ' ' PHE . 1.1 t80 -38.35 -63.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 110.976 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.661 ' CD2' HG23 ' A' ' 107' ' ' ILE . 12.9 m-85 -54.5 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 71.439999999999998 111.014 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -71.11 -21.91 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 61.340000000000003 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -76.56 -61.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 64.109999999999999 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.949 ' SG ' HD12 ' A' ' 36' ' ' LEU . 9.1 p -66.5 -20.39 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 108.278 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 37' ' ' SER . . . 100.58 -14.7 59.09 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 111.0 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.949 HD12 ' SG ' ' A' ' 34' ' ' CYS . 7.7 mt -40.35 -30.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 75.019999999999996 109.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 35' ' ' GLY . 7.7 t -68.53 94.64 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 74.120000000000005 109.99 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.14 -4.7 31.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.035 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 36' ' ' LEU . 18.4 mmtt -55.19 -178.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 70.439999999999998 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.848 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -78.17 141.23 38.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.982 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -61.04 -19.46 61.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 110.383 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -73.32 -60.66 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 71.030000000000001 109.289 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 44' ' ' VAL . 6.6 pt-20 -59.33 -43.76 92.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 53.409999999999997 110.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 40' ' ' SER . 71.1 t -44.47 -40.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 74.239999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 100' ' ' ILE . 20.9 mttm -68.73 -41.38 79.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 73.530000000000001 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 17.8 mmmt -66.19 -21.38 66.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 65.120000000000005 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.9 -36.1 21.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 63.210000000000001 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 103' ' ' PHE . 5.6 t80 -66.19 -20.76 66.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 72.239999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.09 -6.89 58.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 72.109999999999999 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.118 HG21 ' CD1' ' A' ' 3' ' ' PHE . 8.5 mm -74.04 -52.23 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 55.420000000000002 109.262 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -63.6 -52.61 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 74.319999999999993 109.325 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -40.0 103.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 62.25 109.33 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 51' ' ' ILE . 24.3 mt-30 -94.02 -25.92 17.01 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.64 1.686 . . . . 71.409999999999997 110.306 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 3.0 p30 -112.08 -9.39 13.97 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 117.889 -1.053 . . . . 75.349999999999994 109.996 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 54.8 54.94 8.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 73.219999999999999 109.309 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.46 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -78.23 -5.58 52.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 74.109999999999999 110.004 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' C ' ' CD2' ' A' ' 58' ' ' PHE . . . 97.2 -18.94 56.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 61.020000000000003 110.985 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' C ' ' A' ' 57' ' ' GLY . 9.0 m-85 -142.97 -175.87 4.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.753 . . . . 71.040000000000006 111.052 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 59' ' ' ILE . 76.6 mt -129.31 76.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 74.019999999999996 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 63' ' ' GLU . 2.5 mp0 -54.57 156.54 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 64.129999999999995 110.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 64' ' ' LEU . 21.6 tt0 -46.6 -34.9 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.450000000000003 110.278 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 1.2 mp0 -63.17 -37.89 89.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 110.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLU . 21.7 mt-10 -83.37 -26.47 30.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 73.140000000000001 110.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 98' ' ' ILE . 11.6 mt -52.71 -51.77 58.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.873 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 6.3 ptpp? -57.03 -18.31 13.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 62.229999999999997 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD23 ' HG3' ' A' ' 65' ' ' LYS . 16.2 mt -92.58 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 72.109999999999999 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 86' ' ' PHE . 76.6 t80 -80.57 6.57 12.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 75.25 111.009 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.767 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 15.5 mt -118.06 -7.92 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 62.25 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 41.1 mt-30 -92.13 1.25 57.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.010000000000005 110.262 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.607 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.6 p30 -83.63 -45.33 13.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 63.229999999999997 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 3' ' ' PHE . 51.9 m-85 -82.67 5.56 20.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 75.519999999999996 111.031 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' GLN . 16.2 tptp -175.12 148.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 74.519999999999996 109.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' HB2' ' N ' ' A' ' 0' ' ' SER . . . -100.48 65.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 61.420000000000002 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . 175.73 -33.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 63.130000000000003 111.015 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.767 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -39.47 135.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.757 . . . . 64.230000000000004 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptt85 -56.93 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.268 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.873 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -120.47 137.15 54.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 73.209999999999994 109.316 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.611 ' H ' HD22 ' A' ' 78' ' ' LEU . 2.8 mm? -45.1 148.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 54.439999999999998 109.277 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.439 ' CB ' ' OE2' ' A' ' 82' ' ' GLU . 35.3 t -61.97 -173.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 75.450000000000003 110.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' N ' ' OG ' ' A' ' 79' ' ' SER . 7.7 p-10 -73.0 -28.68 62.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 65.010000000000005 109.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 -46.22 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 64.439999999999998 109.28 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' OE2' ' CB ' ' A' ' 79' ' ' SER . 29.8 mt-10 -50.91 -51.42 52.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 71.349999999999994 110.281 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -59.8 -27.5 66.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 60.200000000000003 110.423 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -73.85 -41.95 61.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 72.439999999999998 109.344 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -63.37 -43.9 96.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 65.019999999999996 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.622 ' CE2' ' CD1' ' A' ' 67' ' ' PHE . 7.5 t80 -74.03 -13.63 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.69 HD13 ' CD1' ' A' ' 64' ' ' LEU . 33.7 tp -83.2 -64.58 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 72.010000000000005 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -56.49 -39.79 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 72.209999999999994 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -45.36 -66.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 35.43 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 92' ' ' SER . . . -76.36 -63.15 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 4.4 t0 -49.31 93.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.767 . . . . 61.229999999999997 109.269 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -89.83 2.73 54.6 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-O 123.63 1.681 . . . . 54.310000000000002 109.994 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 94' ' ' GLY . 1.5 p30 -123.67 -1.06 8.52 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 117.884 -1.055 . . . . 61.140000000000001 109.991 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . 37.37 70.09 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 53.240000000000002 110.973 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -104.83 -22.99 13.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 63.539999999999999 109.251 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 97' ' ' LYS . . . 116.03 8.55 13.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.004 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' C ' ' A' ' 96' ' ' GLY . 21.1 mtmt -150.51 171.48 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 70.010000000000005 109.281 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.815 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -133.41 104.75 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.81 -165.36 25.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 73.219999999999999 110.939 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.11 -38.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 73.040000000000006 109.269 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -18.71 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.298 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.406 ' OE2' ' OD1' ' A' ' 91' ' ' ASP . 30.1 mt-10 -99.13 -41.6 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 73.340000000000003 110.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 48' ' ' PHE . 51.9 t80 -72.08 -27.63 62.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 74.409999999999997 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 108' ' ' LYS . . . -87.85 -11.03 48.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 71.129999999999995 109.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.4 -54.02 6.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 50.409999999999997 109.309 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.581 ' HE1' ' CD1' ' A' ' 86' ' ' PHE . 5.4 ptm -50.67 -19.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 42.530000000000001 110.979 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.696 ' CD1' HG13 ' A' ' 44' ' ' VAL . 1.3 pt -106.48 -36.06 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 62.310000000000002 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 104' ' ' ALA . 44.3 tttt -71.28 -13.41 61.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 73.109999999999999 109.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.519 1.137 . . . . 60.039999999999999 110.98 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.993 -0.373 . . . . 73.299999999999997 109.993 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp -89.68 46.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 74.530000000000001 110.973 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.974 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -74.69 -62.02 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.240000000000002 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.072 ' CD2' HG21 ' A' ' 50' ' ' ILE . 7.6 m-85 -53.2 -19.67 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.28 -21.89 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -95.76 -41.49 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 110.016 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -63.63 -62.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 60.210000000000001 109.305 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.816 HD13 ' HB2' ' A' ' 34' ' ' CYS . 1.0 OUTLIER -108.82 -178.85 3.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 72.150000000000006 109.301 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -89.57 127.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 61.420000000000002 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -52.26 -26.23 11.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 74.120000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.61 49.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.319999999999993 109.332 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 8' ' ' LYS . 34.9 mt-10 -71.99 -56.91 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -59.76 -36.14 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 71.219999999999999 109.276 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -53.56 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 74.129999999999995 110.41 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.18 66.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 31.43 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . -75.4 -19.3 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 63.229999999999997 109.348 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -86.63 -24.86 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 72.219999999999999 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -90.68 -19.4 23.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.33 -12.79 81.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 51.439999999999998 111.004 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 p -135.45 29.09 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.331 -0.989 . . . . 54.509999999999998 108.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -64.59 -46.44 82.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 63.210000000000001 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 152.4 44.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 63.439999999999998 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.22 151.98 26.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.129999999999995 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.69 21.39 50.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 65.109999999999999 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 p -133.06 17.02 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.56 0.8 . . . . 62.509999999999998 109.968 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HG ' ' A' ' 78' ' ' LEU . 9.1 t80 -92.54 142.95 26.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 61.310000000000002 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -135.49 89.44 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.276 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 24.6 p80 -39.8 -57.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 72.109999999999999 109.631 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 7.5 pttt -44.77 -61.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 64.109999999999999 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -47.0 -60.38 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 53.25 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 15' ' ' ALA . 9.6 t80 -38.36 -63.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 72.329999999999998 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 57.4 m-85 -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 111.006 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' LYS . 8.3 ttpt -73.52 -27.01 61.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 73.329999999999998 109.271 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 30' ' ' PHE . . . -70.39 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.816 ' HB2' HD13 ' A' ' 7' ' ' LEU . 7.5 p -64.43 -19.51 65.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 60.409999999999997 108.313 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 96.23 -7.96 66.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 74.140000000000001 111.011 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' ' 34' ' ' CYS . 6.3 mt -40.05 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 73.299999999999997 109.339 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' GLY . 59.1 m -69.29 -52.9 22.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -81.58 -0.03 88.66 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 111.031 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.1 mmtt -72.54 178.24 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 72.040000000000006 109.31 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 44' ' ' VAL . 28.7 m -90.27 137.91 31.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 61.140000000000001 109.994 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -54.89 -18.51 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 40.109999999999999 110.381 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -67.06 -63.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 74.209999999999994 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' LYS . 6.1 pt-20 -57.27 -38.81 74.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 71.430000000000007 110.297 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 HD11 ' A' ' 107' ' ' ILE . 52.0 t -40.9 -45.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 100' ' ' ILE . 43.1 mttt -59.96 -47.58 85.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' GLU . 3.9 mtmt -67.66 -20.42 65.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.18 -39.35 33.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 53.030000000000001 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HB2' ' CD2' ' A' ' 103' ' ' PHE . 1.7 t80 -66.78 -25.56 66.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.319999999999993 111.06 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.75 -4.68 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 53.130000000000003 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.072 HG21 ' CD2' ' A' ' 3' ' ' PHE . 9.9 mm -79.1 -47.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 70.140000000000001 109.323 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -71.14 -51.29 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.299999999999997 109.328 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.37 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.109999999999999 109.332 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -86.98 -59.32 2.29 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 123.642 1.686 . . . . 75.420000000000002 110.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.481 ' OD2' ' CB ' ' A' ' 56' ' ' SER . 2.9 p30 -74.49 1.94 10.73 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.923 -1.036 . . . . 55.020000000000003 110.023 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp 51.23 57.15 6.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.420000000000002 109.258 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 2.6 p -91.17 -9.01 46.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 110.015 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.13 -9.3 64.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 62.310000000000002 111.047 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -134.73 173.75 11.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 72.239999999999995 110.964 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.451 HG13 ' CE2' ' A' ' 48' ' ' PHE . 65.8 mt -130.37 92.74 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 74.430000000000007 109.284 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.24 168.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.420000000000002 110.286 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 64' ' ' LEU . 10.6 tm-20 -58.03 -40.53 81.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.51 -37.27 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 53.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' OD1' ' A' ' 54' ' ' ASP . 33.1 mt-10 -74.54 -28.44 60.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 64.239999999999995 110.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.804 HD21 HD12 ' A' ' 98' ' ' ILE . 10.5 mt -54.09 -49.09 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 109.247 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 77' ' ' ALA . 5.8 ptmt -57.64 -17.79 16.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 ' NE2' ' A' ' 69' ' ' GLN . 48.8 mt -92.57 27.94 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.285 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.582 ' CE2' ' CZ ' ' A' ' 31' ' ' PHE . 50.3 t80 -73.0 -1.13 15.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 111.008 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 13.7 mt -115.96 -8.46 11.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 72.140000000000001 109.249 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.646 ' NE2' HD22 ' A' ' 66' ' ' LEU . 44.5 mt-30 -84.95 -1.52 56.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 73.230000000000004 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.617 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 10.6 p30 -85.48 -41.99 14.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 73.439999999999998 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.753 ' CE1' ' CD2' ' A' ' 3' ' ' PHE . 83.1 m-85 -84.55 6.24 24.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 74.519999999999996 110.989 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -175.16 150.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 73.150000000000006 109.282 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 72' ' ' LYS . . . -99.81 25.88 6.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 51.420000000000002 109.285 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -160.0 25.89 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 43.32 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -78.77 -174.78 4.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 72.109999999999999 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.28 160.78 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 63.299999999999997 110.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 65' ' ' LYS . . . -105.3 144.91 31.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 51.299999999999997 109.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 25' ' ' PHE . 2.2 mm? -73.64 148.21 43.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 74.319999999999993 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t -64.13 178.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 72.299999999999997 110.023 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 21.5 m-20 -69.73 -35.14 74.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.41 -41.8 60.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 75.140000000000001 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -64.57 -48.28 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 110.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.8 m -69.63 -18.55 63.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 61.310000000000002 110.414 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -67.71 -56.5 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 73.239999999999995 109.262 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.82 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.96 -22.2 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 63.229999999999997 109.277 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.67 -18.26 60.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.299999999999997 111.024 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 38.5 tp -80.8 -64.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 74.430000000000007 109.333 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -63.99 -18.87 64.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 71.299999999999997 109.304 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' O ' ' A' ' 85' ' ' ALA . . . -53.45 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 64.540000000000006 109.311 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 106' ' ' MET . . . -100.75 -41.22 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 41.32 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 20.6 t0 -62.72 80.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 90' ' ' GLY . 0.4 OUTLIER -67.82 -54.62 17.64 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 123.593 1.663 . . . . 73.430000000000007 109.996 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -67.18 -13.9 62.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.934 -1.031 . . . . 72.219999999999999 109.985 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 38.49 70.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.09 . . . . 65.400000000000006 111.014 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -13.4 23.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.010000000000005 109.335 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 97' ' ' LYS . . . 119.91 7.94 9.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 53.299999999999997 111.03 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 51.9 mtmt -152.91 178.66 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 70.140000000000001 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.804 HD12 HD21 ' A' ' 64' ' ' LEU . 2.3 mt -136.26 105.04 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.27 -162.46 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 111.049 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.505 ' O ' HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -78.24 -49.6 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 50.109999999999999 109.29 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.447 ' N ' ' CG2' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -54.15 -28.28 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.318 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 37.2 mt-10 -88.86 -45.96 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 75.200000000000003 110.232 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 48' ' ' PHE . 43.6 t80 -59.41 -29.14 67.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' ' 107' ' ' ILE . . . -86.82 -6.94 58.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.349999999999994 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 102' ' ' GLU . . . -81.74 -54.85 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 70.430000000000007 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.469 ' HB3' ' CA ' ' A' ' 90' ' ' GLY . 4.0 ptm -51.36 -26.27 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.409999999999997 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.771 HD11 HG11 ' A' ' 44' ' ' VAL . 18.5 pt -92.98 -43.0 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 65.099999999999994 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -66.24 -16.14 63.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 62.219999999999999 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 75.5 111.023 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.016 -0.364 . . . . 53.420000000000002 110.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtt 50.86 37.57 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 64.049999999999997 111.014 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.999 ' HB3' HG23 ' A' ' 50' ' ' ILE . . . -84.28 -29.38 26.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 44.229999999999997 109.278 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.091 ' CD2' HG21 ' A' ' 50' ' ' ILE . 9.1 m-85 -70.69 -5.59 30.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 110.952 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.07 -18.01 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 75.430000000000007 109.311 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -96.48 -47.64 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 72.510000000000005 109.959 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -63.88 -62.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' CD2' ' CE ' ' A' ' 39' ' ' LYS . 6.2 mt -112.79 171.03 7.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 65.420000000000002 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.6 ttpt -86.98 121.15 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 71.219999999999999 109.336 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' HA ' HG22 ' A' ' 12' ' ' VAL . 22.2 t0 -48.34 -41.42 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 71.340000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.29 73.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 53.530000000000001 109.3 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LYS . 27.8 mm-40 -75.67 -63.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 110.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 7' ' ' LEU . 26.9 m -54.0 -29.46 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 54.229999999999997 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -48.49 -49.07 37.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 61.219999999999999 110.421 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.91 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . . . -80.7 -33.16 35.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 52.109999999999999 109.325 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.78 -33.84 74.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.25 109.281 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -78.29 -18.9 54.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 64.120000000000005 109.308 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.91 -8.5 73.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.132 . . . . 72.340000000000003 110.982 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 p -129.17 26.07 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.326 -0.99 . . . . 64.420000000000002 108.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 -16.88 53.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.872 ' HB3' ' OG ' ' A' ' 24' ' ' SER . . . -98.44 102.18 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 53.030000000000001 109.314 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.82 133.93 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 74.150000000000006 109.264 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.72 16.89 74.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 111.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.872 ' OG ' ' HB3' ' A' ' 21' ' ' ALA . 1.5 p -126.68 12.25 7.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 64.200000000000003 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.6 t80 -75.56 136.53 40.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 73.400000000000006 111.019 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 29' ' ' LYS . 4.2 m-20 -138.87 93.16 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 74.439999999999998 109.355 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.633 ' CE1' ' HB1' ' A' ' 89' ' ' ALA . 26.5 p80 -39.89 -59.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.299999999999997 109.624 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 26.6 mtmt -43.58 -47.15 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 64.030000000000001 109.297 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 26' ' ' ASP . 6.1 mptt -63.25 -39.49 94.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 74.209999999999994 109.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CE2' ' CE2' ' A' ' 71' ' ' PHE . 3.2 t80 -61.31 -63.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 75.310000000000002 111.01 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD1' HG23 ' A' ' 107' ' ' ILE . 15.9 m-85 -52.33 -23.11 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 73.239999999999995 111.026 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -77.36 -51.2 11.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 55.43 109.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 15' ' ' ALA . . . -65.99 -25.43 67.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 109.285 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 15' ' ' ALA . 82.2 m -90.66 -26.17 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 72.540000000000006 108.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . 91.73 -14.37 64.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 44.329999999999998 110.985 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 7' ' ' LEU . 12.4 mt -42.52 -28.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 74.230000000000004 109.308 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.422 ' N ' ' C ' ' A' ' 35' ' ' GLY . 42.1 t -65.29 -49.21 70.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 74.150000000000006 110.007 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . -90.07 6.65 82.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.989 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 29.3 mmtt -71.23 -179.64 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 73.230000000000004 109.289 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.989 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -87.89 153.35 21.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 61.340000000000003 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.498 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 1.3 m -68.88 -26.55 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 71.319999999999993 110.409 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.62 -63.53 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' OE2' ' CG ' ' A' ' 39' ' ' LYS . 6.6 pt-20 -51.72 -36.93 48.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 75.310000000000002 110.307 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 40' ' ' SER . 25.4 t -45.67 -47.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 50.439999999999998 109.335 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER -63.13 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.258 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HZ2' ' HB3' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -76.14 -20.93 57.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 44.009999999999998 109.326 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB1' ' CZ ' ' A' ' 3' ' ' PHE . . . -83.04 -37.26 24.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 52.509999999999998 109.344 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' OD2' ' A' ' 52' ' ' ASP . 10.1 t80 -62.42 -20.94 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 70.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.36 -8.64 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 75.420000000000002 109.327 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.091 HG21 ' CD2' ' A' ' 3' ' ' PHE . 10.7 mm -72.52 -48.93 44.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 70.109999999999999 109.262 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -66.86 -58.43 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.329999999999998 109.334 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.579 ' OD2' ' CE2' ' A' ' 48' ' ' PHE . 71.6 m-20 -40.17 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 52.030000000000001 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.39 -17.06 33.17 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 123.629 1.68 . . . . 64.040000000000006 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 7.4 p-10 -119.96 -14.13 8.95 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 117.889 -1.053 . . . . 54.509999999999998 109.995 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 52' ' ' ASP . 20.7 mmtp 61.92 36.96 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 109.304 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' CB ' ' OD2' ' A' ' 54' ' ' ASP . 1.1 p -56.92 -17.67 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 65.230000000000004 109.971 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.17 -31.94 6.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 64.129999999999995 110.972 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -133.0 -170.86 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 64.129999999999995 111.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 59' ' ' ILE . 82.3 mt -127.24 77.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 72.530000000000001 109.32 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -52.52 165.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.128 . . . . 71.239999999999995 110.249 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -51.93 -41.48 62.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.285 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -63.85 -24.47 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -88.1 -34.25 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 63.229999999999997 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.709 ' CD1' HD13 ' A' ' 87' ' ' LEU . 12.3 mt -52.17 -54.52 29.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 63.340000000000003 109.313 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 9.6 ptmm? -53.26 -21.09 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 70.540000000000006 109.268 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.475 HD22 ' CD ' ' A' ' 69' ' ' GLN . 39.9 mt -92.76 26.69 2.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 74.400000000000006 109.283 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.726 ' CG ' ' CE1' ' A' ' 86' ' ' PHE . 15.3 t80 -77.56 2.35 16.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 70.219999999999999 111.003 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 17.2 mt -118.13 -7.75 10.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 70.129999999999995 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.475 ' CD ' HD22 ' A' ' 66' ' ' LEU . 42.0 mt-30 -89.4 1.48 55.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 72.319999999999993 110.295 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.622 ' HB3' HG23 ' A' ' 51' ' ' ILE . 7.4 p30 -86.13 -45.33 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 72.519999999999996 109.341 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD1' ' CD2' ' A' ' 3' ' ' PHE . 51.0 m-85 -83.27 9.49 10.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 73.129999999999995 111.02 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -179.06 154.85 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 109.3 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.17 27.28 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 65.140000000000001 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.81 20.79 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 51.43 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 68' ' ' LEU . . . -92.45 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 73.510000000000005 109.321 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -57.97 -170.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 73.430000000000007 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' LYS . . . -123.25 137.55 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.535 HD21 ' HG ' ' A' ' 68' ' ' LEU . 2.5 mm? -53.07 140.49 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 71.200000000000003 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 82' ' ' GLU . 32.0 t -61.13 164.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 53.539999999999999 109.973 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.03 -26.25 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 64.109999999999999 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' LYS . . . -87.79 -54.5 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 72.409999999999997 109.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' CB ' ' HB3' ' A' ' 78' ' ' LEU . 18.1 mt-10 -44.99 -43.16 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 64.510000000000005 110.342 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 64' ' ' LEU . 21.3 m -67.0 -32.53 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 74.030000000000001 110.367 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ALA . 30.9 mtmt -66.37 -40.84 89.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 73.340000000000003 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -66.95 -48.38 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 73.209999999999994 109.304 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.726 ' CE1' ' CG ' ' A' ' 67' ' ' PHE . 10.2 t80 -70.81 -13.72 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.519999999999996 110.999 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 64' ' ' LEU . 38.4 tp -83.94 -56.58 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 63.420000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -25.3 64.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.32 109.32 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.633 ' HB1' ' CE1' ' A' ' 27' ' ' HIS . . . -62.99 -48.83 77.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 71.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.72 -60.16 1.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 60.32 110.982 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' LEU . 5.8 t0 -61.44 120.69 10.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 63.140000000000001 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.7 t -100.44 -14.86 18.13 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 123.652 1.691 . . . . 63.130000000000003 110.003 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 94' ' ' GLY . 12.5 p-10 -98.62 -13.8 20.18 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-N 114.935 -1.029 . . . . 65.400000000000006 109.996 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 50.15 67.96 1.62 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 73.299999999999997 111.011 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -110.16 -23.01 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 71.109999999999999 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 117.39 -2.1 18.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 70.329999999999998 111.012 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -131.62 146.65 52.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 64.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.639 HD12 HD21 ' A' ' 64' ' ' LEU . 1.7 mt -118.96 108.03 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 62.100000000000001 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.36 -163.94 16.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.457 1.098 . . . . 63.399999999999999 110.98 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -83.93 -37.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 62.109999999999999 109.269 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -16.07 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 52.109999999999999 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -102.51 -36.98 8.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.409999999999997 110.309 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.443 ' O ' HG12 ' A' ' 107' ' ' ILE . 57.3 t80 -78.03 -24.89 47.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 73.239999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.615 ' CB ' HG11 ' A' ' 44' ' ' VAL . . . -88.96 -13.31 39.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 61.049999999999997 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.77 -50.41 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 61.149999999999999 109.336 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.591 ' HE1' ' CD2' ' A' ' 86' ' ' PHE . 5.1 ptm -54.97 -15.47 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 72.25 111.041 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.771 HG23 ' CD1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -109.03 -32.91 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 109.314 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -54.39 -41.36 69.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 74.299999999999997 109.33 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.539 1.149 . . . . 64.109999999999999 110.989 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_