data_2kt0_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 2kt0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 47.0 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -63.89 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -61.86 -52.07 65.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.252 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.14 -45.87 83.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.21 -42.51 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.542 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -42.87 93.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -66.31 -42.29 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 95.1 mt -60.4 -49.39 77.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 58.2 t30 -66.84 -41.22 87.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.545 -176.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 20.1 t70 -60.67 -50.88 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.711 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -64.36 -35.2 80.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.287 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.35 -26.2 64.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 14.8 mm100 -86.73 -37.62 17.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.7 mmt180 -74.15 -46.36 42.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.105 0.479 . . . . 0.0 110.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -100.05 -178.64 3.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.752 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.41 -55.03 5.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.259 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -164.55 -170.43 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.922 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.54 120.95 34.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 110.021 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 t -78.64 177.15 8.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.855 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 52' ' ' MET . 51.0 tp -60.79 -38.96 87.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.305 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 9.0 tt0 -77.33 -42.58 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.392 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.26 -34.76 68.95 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 22.6 ptp -64.31 -34.66 78.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.247 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.711 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 -75.77 -35.68 60.05 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.567 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.644 ' O ' HG13 ' A' ' 58' ' ' ILE . 1.9 mp0 -58.54 -53.74 54.88 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 109.97 172.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.26 -43.58 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.481 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 t -53.35 -46.4 69.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.747 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.31 -36.45 82.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 54' ' ' GLU . 28.6 mt -70.09 -44.91 77.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -175.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.01 7.27 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.507 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.19 31.33 19.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.697 0.761 . . . . 0.0 110.343 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -107.97 -178.0 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.667 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.813 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.2 t -99.83 143.77 29.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.138 0.494 . . . . 0.0 110.856 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.64 -30.98 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.555 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -69.81 -36.77 75.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.139 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.813 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 10.5 mm100 -75.22 -44.89 43.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.41 -39.97 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.33 -46.2 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.761 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.462 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.94 -47.24 86.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.042 0.449 . . . . 0.0 110.039 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -61.83 -47.73 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.273 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -67.51 -30.44 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.651 0.262 . . . . 0.0 111.639 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.93 -47.59 61.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.076 0.465 . . . . 0.0 109.897 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 86.2 mm-40 -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.481 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -77.31 -14.56 59.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 64.6 pttt . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.312 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -52.6 -48.03 66.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.7 m -65.19 -41.55 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 110.734 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.8 mt-30 -62.2 -48.02 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.23 -46.05 91.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.71 -49.8 75.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.342 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 42.0 t -66.53 -40.55 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.745 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.77 -47.89 81.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.94 -33.75 70.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.32 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -54.25 -44.94 72.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.094 0.473 . . . . 0.0 110.588 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 18.2 mmm180 -65.27 -42.58 93.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.97 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -74.15 -21.58 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.475 0.655 . . . . 0.0 111.213 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -76.75 -49.94 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 43' ' ' ARG . 59.5 mtt-85 -94.36 -10.42 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.524 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -139.76 156.49 46.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.763 0.316 . . . . 0.0 111.546 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -149.3 172.86 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.256 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -77.97 136.14 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 m -84.47 174.45 10.05 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.72 -41.66 98.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -72.47 -35.83 68.32 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.761 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 73.7 mt-30 -75.56 -31.19 59.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -174.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.8 ptp -68.85 -40.18 79.53 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.627 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.29 -34.15 63.45 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.532 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 58' ' ' ILE . 27.2 tt0 -63.87 -50.06 70.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.094 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -58.92 -39.42 81.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 178.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -45.26 71.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.29 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.08 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 54' ' ' GLU . 32.4 mt -65.41 -42.45 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.803 -175.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' A' ' 33' ' ' GLN . 34.0 mt -93.33 1.4 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.303 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 58.52 38.7 25.42 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.946 0.879 . . . . 0.0 110.08 -176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.9 mt -108.03 -176.68 3.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.452 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 t -98.81 142.14 30.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -53.97 -37.68 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.644 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.35 -37.48 80.54 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.194 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.793 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -69.2 -43.15 74.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.446 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.31 -39.15 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.963 0.411 . . . . 0.0 110.304 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -64.02 -49.43 72.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.941 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -64.43 -46.92 81.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.267 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -59.18 -48.33 82.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.391 . . . . 0.0 110.111 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -56.64 -51.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.325 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.824 ' HG3' ' HE1' ' A' ' 75' ' ' MET . 22.2 tp60 -62.73 -36.85 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 111.088 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.75 -51.04 53.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.75 -36.51 83.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.062 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.75 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.24 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.824 ' HE1' ' HG3' ' A' ' 71' ' ' GLN . 74.5 mtm -78.53 -41.16 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -69.57 -34.9 74.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.495 ' O ' HG21 ' A' ' 36' ' ' VAL . 13.0 m -54.91 -43.7 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.053 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG2' HD22 ' A' ' 59' ' ' LEU . 29.3 mt-30 -71.51 -42.71 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.55 -37.87 89.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.132 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.79 -42.72 98.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.849 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 32' ' ' THR . 67.6 t -63.56 -38.36 82.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD12 ' CH2' ' A' ' 69' ' ' TRP . 73.5 mt -65.65 -42.27 91.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.284 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 44.0 t-20 -63.42 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.041 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 10.4 t70 -59.81 -56.51 20.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.585 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -58.98 -40.37 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.482 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.91 -20.77 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.671 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -90.38 -42.23 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 15.7 mmm-85 -68.7 -39.81 80.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.135 0.493 . . . . 0.0 110.162 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -119.17 -178.02 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.465 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 12.5 mptt -88.11 -43.88 11.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.713 ' HB3' ' HZ ' ' A' ' 70' ' ' PHE . 64.6 m-85 -139.47 164.4 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.497 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.88 128.92 34.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.722 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -81.39 176.66 9.52 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.724 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.5 mm? -62.19 -36.04 80.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.427 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -35.42 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.074 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.32 -41.89 72.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.553 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 19.9 ptp -68.33 -34.78 76.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.643 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.83 -32.43 61.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.702 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.541 ' O ' HG13 ' A' ' 58' ' ' ILE . 37.5 tt0 -64.96 -48.38 74.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 109.868 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.39 -44.81 95.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.575 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.533 ' HB3' HG23 ' A' ' 66' ' ' VAL . 2.5 p -62.88 -32.24 73.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.065 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.81 88.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.5 mt -72.24 -47.03 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -174.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 33' ' ' GLN . 77.3 mt -86.99 6.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 54.53 57.32 5.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.658 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.6 164.54 24.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.69 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 t -72.86 141.03 47.94 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.441 ' CE1' ' HG3' ' A' ' 52' ' ' MET . 56.5 t80 -57.4 -36.05 70.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.4 -40.12 85.61 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.091 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.92 -41.33 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.533 HG23 ' HB3' ' A' ' 56' ' ' SER . 79.9 t -68.89 -39.85 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 0.0 110.039 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.44 -44.66 93.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.718 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.0 m -70.3 -43.37 70.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.001 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.446 ' CH2' HD12 ' A' ' 37' ' ' LEU . 64.0 t90 -60.73 -43.99 97.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.713 ' HZ ' ' HB3' ' A' ' 46' ' ' TYR . 68.1 t80 -61.02 -49.32 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.967 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -66.01 -28.7 69.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.618 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 23.9 t-20 -69.84 -45.65 67.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.219 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 81.9 mm-40 -64.57 -31.72 73.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.12 0.486 . . . . 0.0 110.224 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.33 -41.79 69.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.037 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.618 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 23.0 ptp -72.0 -29.04 63.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.695 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.8 mmtp . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.213 0.53 . . . . 0.0 109.834 173.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . 16.2 m . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -51.69 -46.35 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.228 0.33 . . . . 0.0 110.789 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 36' ' ' VAL . 11.5 m -58.99 -41.63 88.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.454 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.682 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 6.3 mm100 -67.72 -44.29 77.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.075 0.464 . . . . 0.0 109.833 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.24 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.851 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.06 -46.77 84.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.448 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.633 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 94.7 t -60.14 -42.12 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.56 -46.96 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.775 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -66.79 -44.78 80.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 7.7 t70 -59.14 -48.29 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.143 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.633 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 6.2 mpt_? -64.82 -45.92 84.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-85 -69.91 -21.19 63.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.498 . . . . 0.0 111.156 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -74.41 -30.78 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 37.7 mtt180 -90.01 -43.3 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.328 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 78.9 mt-30 -129.01 136.87 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.634 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.92 -43.16 96.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.21 150.05 48.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.522 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.8 148.98 29.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 m -80.83 175.7 10.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.983 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.27 -42.79 83.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.65 -26.87 63.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.182 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -74.87 -43.24 55.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.822 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.5 -38.26 90.4 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.551 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.85 -32.98 63.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.804 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.632 ' O ' HG13 ' A' ' 58' ' ' ILE . 9.4 tp10 -71.64 -38.03 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.52 -46.96 87.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.514 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.3 p -60.37 -37.19 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.532 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.93 -38.62 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 54' ' ' GLU . 26.4 mt -70.91 -44.21 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.949 0.404 . . . . 0.0 111.22 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD13 ' NE2' ' A' ' 33' ' ' GLN . 3.2 mm? -88.71 4.69 46.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.427 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.2 20.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.53 175.72 5.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.792 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 13.3 t -81.94 143.85 31.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.247 0.546 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -57.26 -36.78 71.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.288 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -71.97 -30.66 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.876 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.792 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 57.1 mt-30 -65.0 -43.83 91.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 91.9 t -71.75 -45.57 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.302 0.572 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -58.43 -44.24 89.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.42 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -74.78 -39.14 61.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -62.71 -49.53 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.58 -42.54 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.291 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 75' ' ' MET . 6.5 tp-100 -65.71 -46.61 78.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.25 -38.76 88.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.622 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.52 -48.61 81.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.402 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -72.23 -25.46 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.034 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 57.4 mtm -66.91 -42.81 84.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.7 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.2 mttm . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.253 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 p -52.48 -42.54 64.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.45 0.468 . . . . 0.0 111.888 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.5 m -56.66 -50.82 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.531 ' HG2' HD22 ' A' ' 59' ' ' LEU . 8.1 mt-30 -67.58 -39.85 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.707 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.16 -44.3 87.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.08 -41.95 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 32' ' ' THR . 85.1 t -64.38 -44.16 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.061 0.458 . . . . 0.0 110.619 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD12 ' CH2' ' A' ' 69' ' ' TRP . 95.1 mt -61.97 -49.95 74.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.98 -39.86 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.649 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 18.0 t70 -59.85 -51.49 69.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -75.17 -28.17 59.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -176.253 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.01 -18.63 63.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 111.002 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -83.57 -49.51 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.9 mmt180 -66.45 -52.66 44.01 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 109.836 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -90.73 -177.96 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.093 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 63.3 mmtt -112.04 -37.54 5.05 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.434 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 32.2 m-85 -146.99 176.87 9.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.24 137.43 37.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.156 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 p -92.12 179.47 5.57 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.64 -38.04 83.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.672 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.74 -43.67 58.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.911 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.99 -39.65 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.754 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.37 -38.98 81.92 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.07 -40.06 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.614 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.616 ' O ' HG13 ' A' ' 58' ' ' ILE . 43.9 mt-10 -71.91 -38.44 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.785 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.37 -39.22 89.84 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.928 0.394 . . . . 0.0 110.289 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -52.95 -47.24 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.933 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.86 -40.13 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.7 mt -71.86 -47.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.229 -175.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.531 HD22 ' HG2' ' A' ' 33' ' ' GLN . 89.3 mt -78.74 -0.23 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -175.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.17 25.46 13.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.802 0.81 . . . . 0.0 110.205 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.85 173.4 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.915 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.565 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 26.3 t -81.46 148.47 29.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 64.5 t80 -61.25 -33.97 74.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.582 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.02 -36.18 79.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.874 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.565 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 56.3 mt-30 -68.07 -44.06 77.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.189 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.14 -42.97 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.011 0.434 . . . . 0.0 110.734 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 47.7 tttp -63.79 -50.37 69.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.328 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.9 m -66.24 -36.15 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.203 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' HD12 ' A' ' 37' ' ' LEU . 27.7 t90 -64.07 -48.82 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.021 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 54.1 t80 -59.82 -40.8 89.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.433 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.524 ' HG3' ' HE2' ' A' ' 75' ' ' MET . 21.9 tp60 -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.741 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.603 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 11.5 m-80 -79.28 -44.35 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.082 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 70' ' ' PHE . 19.6 pt20 -61.9 -31.03 71.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.503 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -71.24 -44.23 65.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.301 178.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.603 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 21.2 ptp -78.9 -60.98 2.16 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 75' ' ' MET . 16.6 ptpt . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -165.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 m -49.88 -40.04 41.52 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 123.622 0.576 . . . . 0.0 110.842 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.477 ' O ' HG21 ' A' ' 36' ' ' VAL . 7.3 m -56.64 -53.03 62.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.958 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HG2' HD11 ' A' ' 59' ' ' LEU . 48.5 mt-30 -66.39 -37.93 86.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.719 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.18 -47.39 85.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.8 m -63.54 -36.19 82.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.373 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 77.4 t -61.72 -46.3 96.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.533 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.41 -44.15 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.034 0.445 . . . . 0.0 110.131 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -64.24 -36.42 84.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.58 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -65.01 -46.73 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.864 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 12.2 mmm180 -58.98 -41.69 88.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.566 0.222 . . . . 0.0 110.656 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.654 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 28.9 m-85 -74.35 -21.31 59.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.328 0.585 . . . . 0.0 111.372 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -38.21 59.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.573 174.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.8 mmt180 -69.53 -52.95 21.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.14 149.06 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.601 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.73 -39.29 93.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.54 157.58 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.74 147.65 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.329 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 p -89.83 177.97 6.36 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.812 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.3 -36.85 85.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.397 0.618 . . . . 0.0 109.707 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.84 -40.0 69.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.016 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -73.3 -34.08 65.54 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.35 -43.59 90.37 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.041 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.2 -31.79 64.4 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.433 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.9 tt0 -58.5 -53.96 52.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.978 173.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.959 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 63' ' ' TYR . 32.3 m -53.98 -53.14 57.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.243 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.69 -33.1 75.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.0 mt -71.37 -37.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 33' ' ' GLN . 27.5 tp -92.2 0.04 57.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.18 29.2 18.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.993 0.902 . . . . 0.0 109.76 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.35 165.44 11.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.403 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -82.04 144.03 31.13 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.447 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.499 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 20.3 t80 -53.81 -41.24 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.884 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.33 -26.83 63.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.47 -38.43 59.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.39 -42.25 64.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.282 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -62.23 -50.28 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.2 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.8 m -62.73 -42.4 99.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.654 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 39.8 t90 -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.527 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 29.3 t80 -60.87 -42.61 98.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.19 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 5.3 tp-100 -66.76 -35.64 80.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 0.0 110.432 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.507 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 11.8 m-80 -67.85 -50.95 53.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 70' ' ' PHE . 5.0 pp0? -63.21 -30.73 71.82 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 48.0 ttt180 -67.38 -45.06 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.079 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 69.7 mtm -64.81 -37.22 86.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.567 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 35.4 mmtp . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -61.72 -28.95 69.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -72.63 -46.75 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.753 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HG2' HD13 ' A' ' 59' ' ' LEU . 48.7 mt-30 -63.68 -39.64 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.63 -34.34 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.73 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.56 -37.8 80.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 110.531 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.44 -43.43 81.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.154 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 27.9 t-20 -65.71 -43.53 88.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.72 -41.65 74.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HE ' HD12 ' A' ' 55' ' ' LEU . 1.2 mpt_? -55.28 -48.8 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.9 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.41 -21.64 59.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.043 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 12.4 mm100 -86.28 -24.93 25.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 111.575 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.595 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 2.4 mmp_? -85.9 -43.13 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.705 0.288 . . . . 0.0 110.456 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 44' ' ' GLN . 1.1 mp0 -128.27 144.53 51.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -63.68 -24.02 67.61 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.308 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -147.79 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 47' ' ' LEU . 2.4 pp -107.65 128.13 54.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.324 0.583 . . . . 0.0 110.422 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -82.98 -174.54 5.34 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.259 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.02 -34.44 75.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.62 0.724 . . . . 0.0 109.237 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -29.22 62.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.057 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -75.54 -44.7 42.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.862 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.9 ptp -60.15 -38.77 84.16 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.29 -37.17 66.32 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.342 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 58' ' ' ILE . 39.9 tt0 -64.0 -44.76 91.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.144 0.497 . . . . 0.0 109.937 175.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD12 ' HE ' ' A' ' 40' ' ' ARG . 50.1 tp -58.62 -46.13 87.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.874 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.3 m -52.78 -48.81 66.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.034 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -61.66 -33.76 74.53 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.745 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 54' ' ' GLU . 14.2 mt -72.31 -39.58 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.0 111.442 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' A' ' 33' ' ' GLN . 3.4 mm? -95.23 1.98 54.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.398 -175.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 36.99 18.44 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mp -107.95 168.97 8.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.347 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.583 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 42.5 t -84.81 137.97 32.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.283 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.66 -33.43 66.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.059 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.76 -37.83 76.55 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.958 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 84.4 mm-40 -68.85 -46.33 68.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -40.41 86.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 111.053 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.203 0.525 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -71.44 -34.19 70.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.685 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -56.92 -48.66 77.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.48 -41.04 88.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.096 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -67.33 -33.17 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 16.1 m-80 -74.3 -45.14 49.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.13 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.48 -40.08 93.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -55.08 -49.97 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.28 -36.46 66.32 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.231 -172.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 19.9 ptmt . . . . . 0 C--N 1.329 -0.291 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.907 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -58.13 -38.81 77.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.06 0.457 . . . . 0.0 110.14 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 36' ' ' VAL . 4.6 m -60.66 -48.16 83.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HG2' HD23 ' A' ' 59' ' ' LEU . 55.1 mt-30 -60.98 -47.88 84.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.27 -43.98 92.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.703 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.93 -45.4 93.84 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.489 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.627 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 73.5 t -60.71 -44.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.752 -0.203 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 110.713 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -66.78 -41.49 87.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.634 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 1.1 m-20 -68.18 -31.56 71.19 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.428 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -62.39 -40.72 97.39 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.771 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.99 -28.3 57.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -83.12 -50.04 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.6 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.2 mmt180 -77.9 -38.98 44.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.429 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 mp0 -102.16 -178.91 3.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 41.0 tptt -90.93 -52.88 4.63 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.85 176.57 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.738 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 40' ' ' ARG . 7.3 mp -102.81 129.62 49.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.95 177.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.7 p -83.15 -177.36 6.73 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.32 -29.59 69.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.046 0.451 . . . . 0.0 110.093 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.83 -45.85 33.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.169 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 47' ' ' LEU . 28.7 mt-30 -62.33 -34.86 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.523 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.8 ptp -66.66 -43.24 85.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.023 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 20.4 pt20 -73.97 -36.69 64.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.24 0.543 . . . . 0.0 110.168 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 58' ' ' ILE . 22.1 tt0 -63.38 -38.04 89.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.14 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 HG12 ' A' ' 36' ' ' VAL . 32.5 tp -80.08 -37.47 33.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.383 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 66' ' ' VAL . 80.2 p -57.55 -33.06 67.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.563 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.15 -35.44 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 54' ' ' GLU . 22.9 mt -72.02 -47.31 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.006 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD23 ' HG2' ' A' ' 33' ' ' GLN . 97.4 mt -82.49 4.99 22.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.483 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 56.52 64.05 1.79 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.832 0.825 . . . . 0.0 110.072 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -137.31 171.28 14.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.458 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.723 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.8 t -86.29 146.91 26.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.482 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.477 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 29.1 t80 -57.51 -36.83 72.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -71.02 -35.33 71.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.11 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.723 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 15.9 mm100 -65.87 -44.79 84.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.268 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' A' ' 56' ' ' SER . 72.3 t -72.94 -38.28 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.646 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HG2' ' SD ' ' A' ' 52' ' ' MET . 3.6 tmtm? -58.37 -45.97 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.279 0.562 . . . . 0.0 109.747 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.4 m -63.96 -49.24 73.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.09 -44.22 97.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.0 -47.81 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.809 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -69.21 -42.41 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.567 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 19.5 t-20 -63.91 -50.3 69.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.77 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -59.65 -38.61 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -67.45 -48.95 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.567 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 24.8 ptm -70.34 -37.89 74.76 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.827 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt . . . . . 0 C--N 1.331 -0.208 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.074 -175.608 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 m -52.67 -35.21 54.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 111.233 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -61.92 -43.86 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.039 178.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -75.38 -40.74 57.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.13 -37.84 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.662 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.9 -40.28 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 32' ' ' THR . 59.9 t -64.52 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.565 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD22 HD23 ' A' ' 55' ' ' LEU . 94.7 mt -60.85 -44.72 96.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 23.8 t-20 -64.14 -36.73 85.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.508 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.3 t70 -55.16 -50.33 69.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -38.87 79.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.7 -20.79 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 27.2 mm-40 -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.883 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 26.8 mmt180 -73.56 -37.77 65.43 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 110.836 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.44 161.91 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.925 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.93 -40.49 95.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 0.0 109.839 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.898 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 61.0 m-85 -143.2 147.62 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.308 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 52' ' ' MET . 1.4 pp -79.93 146.43 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.42 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -79.35 178.79 7.83 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.615 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 3.3 tm? -63.94 -38.69 92.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.073 -177.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.36 -29.51 65.06 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.749 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 57.7 mt-30 -76.01 -45.19 35.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.691 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.55 ' HB3' HD11 ' A' ' 47' ' ' LEU . 21.9 ptp -58.36 -45.26 88.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.8 pt20 -69.82 -35.24 74.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.549 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.618 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.7 tt0 -60.15 -54.03 50.76 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.012 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 37' ' ' LEU . 46.7 tp -60.05 -41.39 92.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.314 -176.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 m -55.71 -53.4 57.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.535 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.96 -35.33 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.618 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.1 mt -81.17 -41.86 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.022 -175.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.563 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.1 t30 62.62 32.96 16.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.697 0.76 . . . . 0.0 110.555 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -113.8 162.97 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.778 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 33.2 t -79.95 146.93 31.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.016 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 40.4 t80 -53.32 -37.35 62.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.584 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -66.6 -39.41 88.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.831 0.348 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 79.0 mt-30 -65.31 -44.79 86.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.509 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.97 -41.61 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.928 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 2.9 tmtp? -66.18 -40.66 90.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -69.71 -38.67 77.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.69 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.218 0.533 . . . . 0.0 109.717 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.898 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 2.7 t80 -58.8 -51.68 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.205 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.491 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 4.3 tp-100 -65.59 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.927 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.622 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.7 t-20 -71.0 -51.96 22.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.338 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 60.3 ttt180 -64.59 -47.15 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.47 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 20.9 ptp -78.71 -6.75 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 69.6 mmtt . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.768 0.318 . . . . 0.0 111.471 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -61.13 -32.21 71.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.797 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.4 m -60.71 -49.55 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.751 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.33 -49.54 71.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.13 -44.67 79.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.746 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.0 t -60.32 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.606 0.241 . . . . 0.0 111.267 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.54 -39.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.959 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.15 -41.8 99.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.344 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.2 -48.52 75.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.961 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.19 -53.11 61.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -63.42 -42.96 98.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.512 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.453 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 10.7 m-85 -73.92 -20.46 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -88.33 -23.49 23.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.74 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG3' ' HG3' ' A' ' 44' ' ' GLN . 12.6 ptm180 -98.8 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 111.169 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 93.2 mt-30 -134.67 158.32 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -70.25 -52.59 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.484 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -149.92 165.25 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.61 149.11 22.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.607 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 p -87.76 177.35 7.04 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.54 -32.53 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -74.74 -39.36 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.218 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -75.29 -32.85 61.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.001 -175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.442 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 ptp -67.44 -39.19 85.4 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.533 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 3.5 pt20 -74.31 -33.49 63.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.475 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.78 -36.94 83.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.503 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.02 -45.01 71.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.976 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 11.9 p -59.94 -30.03 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.759 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -67.33 -33.77 75.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.764 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.3 mt -71.15 -46.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.336 0.588 . . . . 0.0 110.606 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.27 1.6 44.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.758 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 59.44 40.41 20.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.871 0.843 . . . . 0.0 109.764 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.09 -177.39 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -93.49 146.73 23.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.846 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 14.4 t80 -56.74 -38.27 72.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.027 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -71.79 -32.07 67.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.3 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -67.67 -46.32 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 86.7 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.472 0.653 . . . . 0.0 110.552 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 46.1 tttp -61.77 -43.41 98.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.222 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -65.02 -40.05 94.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.453 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 2.5 t90 -65.83 -39.46 90.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 109.663 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.51 -44.92 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.291 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 50.2 mt-30 -67.69 -31.01 70.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.424 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.5 m-80 -73.82 -40.62 63.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.83 -35.07 77.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.294 0.569 . . . . 0.0 109.879 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -40.86 69.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.301 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.479 ' HG3' ' HA ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.19 -22.48 60.46 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.234 -0.587 . . . . 0.0 111.408 -176.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.1 mmtp . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 111.052 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.752 0.31 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -60.53 -38.1 83.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.969 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' VAL . 16.2 p -68.0 -44.85 75.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.793 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -49.15 78.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.801 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.99 -41.03 86.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -61.29 -51.96 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.592 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 92.2 t -58.76 -46.72 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.495 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.77 ' HA ' ' HE ' ' A' ' 40' ' ' ARG . 98.9 mt -56.55 -53.66 54.96 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.46 -32.82 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 -173.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.41 -57.6 12.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.514 0.197 . . . . 0.0 111.452 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.952 HH22 ' HG ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.33 -23.89 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.078 -177.806 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.449 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 3.9 m-85 -68.85 -20.55 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.374 172.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.31 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.319 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 21.6 mmt180 -74.04 -23.51 59.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.884 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -127.39 -178.06 4.31 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -83.0 -52.83 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -152.38 -174.74 5.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 70' ' ' PHE . 96.5 mt -74.54 123.92 25.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.232 175.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -75.11 172.06 13.03 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' HD11 ' A' ' 49' ' ' LEU . 1.8 tm? -65.15 -41.36 94.8 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -71.46 -39.97 70.61 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.274 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -59.29 -45.14 92.07 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.81 -43.06 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.47 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.56 -35.68 65.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.656 ' O ' HG13 ' A' ' 58' ' ' ILE . 2.1 tp10 -64.5 -54.09 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.856 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.952 ' HG ' HH22 ' A' ' 40' ' ' ARG . 2.6 tm? -59.32 -42.74 92.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.975 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.1 t -53.19 -52.91 57.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.468 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.15 -34.91 79.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 54' ' ' GLU . 13.6 mt -80.2 -36.94 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 tp -87.05 0.27 55.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.479 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 65.86 32.11 8.93 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.122 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.94 -177.18 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -99.14 144.27 28.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -61.73 -30.66 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.923 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.73 -44.46 90.09 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.284 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.5 -46.39 79.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -42.54 90.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.04 0.448 . . . . 0.0 110.897 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.39 -44.41 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.501 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.7 m -65.53 -37.73 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.24 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.449 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 76.1 t90 -63.68 -41.34 98.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.585 ' HB2' HD13 ' A' ' 47' ' ' LEU . 48.9 t80 -58.87 -43.32 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.814 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -64.87 -42.32 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.681 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 35.9 t-20 -65.58 -44.95 85.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.085 -176.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 73' ' ' GLN . 6.9 tt0 -56.86 -43.18 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.501 177.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -71.59 -39.09 70.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.681 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 19.5 ptp -72.98 -13.67 61.28 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.5 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 73.2 mmtt . . . . . 0 C--O 1.222 -0.352 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.9 m . . . . . 0 C--O 1.236 0.353 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.8 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.27 0.356 . . . . 0.0 110.943 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -42.24 92.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.374 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' HG2' HD22 ' A' ' 59' ' ' LEU . 19.5 mt-30 -65.32 -50.46 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.622 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.61 -43.94 93.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.349 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.22 -52.01 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.174 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.11 -47.2 83.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.648 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.68 -40.38 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.655 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.656 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -60.55 -48.1 83.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.475 177.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -66.74 -34.67 78.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.774 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -69.74 -22.0 63.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.58 -28.6 28.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.112 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 18.5 mmt180 -79.43 -53.79 6.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.149 0.5 . . . . 0.0 110.192 177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -112.83 158.85 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.637 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -48.23 80.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.282 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.4 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 68.7 m-85 -149.57 176.09 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.667 0.27 . . . . 0.0 110.419 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.98 137.39 32.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.291 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.2 m -79.38 174.46 11.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.797 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.98 -41.84 97.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.45 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -75.07 -26.95 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.122 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -76.23 -37.19 58.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.113 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.12 -39.76 90.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -73.49 -31.88 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.115 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.1 tp10 -62.06 -53.84 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.287 175.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -35.14 74.44 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -53.68 -48.03 69.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.137 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.39 -34.85 75.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.03 0.443 . . . . 0.0 110.531 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 27.7 mt -72.99 -43.65 58.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.153 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD22 ' HG2' ' A' ' 33' ' ' GLN . 79.0 mt -90.11 6.62 41.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.569 -174.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.96 29.48 14.41 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.796 0.807 . . . . 0.0 110.684 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.66 -178.64 3.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.791 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 t -104.66 150.84 24.36 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.97 -35.31 69.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -61.4 -40.46 94.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.322 0.582 . . . . 0.0 109.74 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.19 -45.51 63.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.16 -40.67 75.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.346 -174.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -70.4 -42.96 70.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.3 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 110.777 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -62.2 -49.31 76.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.999 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.4 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 54.8 t80 -58.68 -40.56 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.153 178.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.33 -45.49 94.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.871 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.81 -42.5 66.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.025 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -56.51 -49.71 73.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.098 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.51 -38.72 87.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 61.6 mtm -63.51 -47.05 83.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.463 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.455 -176.152 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -59.85 -38.87 83.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.634 0.254 . . . . 0.0 110.387 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 36' ' ' VAL . 4.9 m -58.16 -44.86 88.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HG2' HD23 ' A' ' 59' ' ' LEU . 24.5 mt-30 -68.24 -45.91 71.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.156 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.93 -46.06 82.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.754 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.28 -47.02 87.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 32' ' ' THR . 98.3 t -64.26 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.91 -46.39 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.74 -36.89 78.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.521 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.4 t70 -65.03 -44.68 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.182 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HG2' HD22 ' A' ' 55' ' ' LEU . 2.4 tpt180 -58.62 -47.61 83.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.733 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.54 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 28.9 m-85 -67.59 -22.87 65.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.115 0.483 . . . . 0.0 111.39 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.43 -23.71 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 19.4 mmt180 -90.97 -43.46 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 64.3 tt0 -136.04 136.51 40.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -62.72 -26.95 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -171.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -135.23 164.01 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.046 0.45 . . . . 0.0 111.2 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.78 137.93 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.71 174.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -83.76 -176.29 6.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.02 0.438 . . . . 0.0 110.231 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.488 HD11 ' HH ' ' A' ' 63' ' ' TYR . 55.8 tp -64.57 -39.8 94.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.535 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -76.7 -29.2 56.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.94 -30.06 55.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.59 -36.78 70.96 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.858 -0.526 . . . . 0.0 110.635 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.64 -31.62 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 173.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 58' ' ' ILE . 26.7 tt0 -58.95 -55.07 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.618 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 40' ' ' ARG . 1.7 mm? -64.32 -37.44 87.49 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.546 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 2.3 p -61.29 -45.77 93.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.019 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.59 -32.21 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.68 0.276 . . . . 0.0 111.503 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.635 HG13 ' O ' ' A' ' 54' ' ' GLU . 24.3 mt -70.56 -53.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.977 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' ' 33' ' ' GLN . 47.5 mt -83.5 8.47 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.461 -171.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t30 63.71 36.68 10.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.793 0.806 . . . . 0.0 110.25 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.8 -177.6 3.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.381 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.489 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 40.4 t -107.11 148.66 28.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' HH ' HD11 ' A' ' 49' ' ' LEU . 26.0 t80 -54.8 -42.25 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.034 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.41 -40.3 96.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.489 ' NE2' ' HB3' ' A' ' 62' ' ' SER . 2.5 mp0 -73.58 -34.19 64.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.336 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 74.0 t -76.75 -38.62 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.043 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -63.34 -42.36 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.191 0.52 . . . . 0.0 110.069 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.3 m -70.04 -38.43 75.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.389 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -61.46 -45.47 94.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 85.9 t80 -57.55 -46.53 83.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.665 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -68.71 -36.29 78.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.75 -47.43 78.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.28 0.562 . . . . 0.0 109.914 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -63.08 -42.65 99.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.108 0.48 . . . . 0.0 109.974 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -66.85 -44.39 81.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.128 -177.123 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.2 ptp -67.27 -32.85 74.14 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.208 -176.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -55.46 -56.04 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.058 0.224 . . . . 0.0 111.321 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.523 ' O ' HG21 ' A' ' 36' ' ' VAL . 23.3 m -55.97 -40.01 72.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.285 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.557 ' HG2' HD22 ' A' ' 59' ' ' LEU . 57.4 mt-30 -59.5 -48.97 79.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.605 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -40.46 92.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.74 -43.13 98.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.96 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.598 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 88.4 t -66.14 -41.06 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.833 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 96.0 mt -57.04 -46.42 82.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.274 0.559 . . . . 0.0 110.076 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.591 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 46.2 t30 -64.29 -43.48 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.114 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 7.2 t70 -55.24 -47.23 75.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.598 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -53.18 -48.43 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 178.079 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 26.0 m-85 -73.85 -22.13 59.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 26.9 mm-40 -73.06 -46.88 49.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.997 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.1 mmt180 -72.08 -37.31 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 0.0 110.299 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -140.9 135.73 31.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 46' ' ' TYR . 20.9 ptmt -64.55 -22.59 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.541 ' CE2' ' HE2' ' A' ' 45' ' ' LYS . 44.9 m-85 -137.91 168.24 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.644 0.259 . . . . 0.0 110.349 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' A' ' 70' ' ' PHE . 92.6 mt -90.05 127.79 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -86.24 177.71 7.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.908 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.94 -35.9 81.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.586 0.708 . . . . 0.0 109.437 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -73.73 -40.37 63.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.734 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -66.57 -42.06 87.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.422 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.0 ptp -67.6 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.376 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.92 -34.28 68.96 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.344 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.673 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.5 -50.15 70.76 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.33 -50.94 68.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.676 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.494 ' HB3' HG22 ' A' ' 66' ' ' VAL . 16.3 p -59.78 -37.62 79.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.858 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -73.39 -32.73 64.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 0.0 110.983 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.673 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.7 mt -72.52 -44.33 61.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD22 ' HG2' ' A' ' 33' ' ' GLN . 38.2 mt -92.15 0.47 57.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.333 -174.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.66 44.54 20.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.002 0.906 . . . . 0.0 110.008 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.3 tp -109.15 168.08 9.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.452 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 26.4 t -76.14 137.11 39.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.32 -34.99 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.559 0.695 . . . . 0.0 109.627 174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -70.59 -38.17 73.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.005 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 28.9 mm-40 -68.16 -42.2 80.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 56' ' ' SER . 98.2 t -64.0 -45.94 95.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.409 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 7.7 tmtt? -61.61 -41.44 97.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.194 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.422 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 91.9 m -72.37 -34.67 68.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.606 -177.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -56.0 27.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.416 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.4 p90 -70.82 -32.44 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.665 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 75' ' ' MET . 85.4 mt-30 -65.27 -50.13 66.92 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -65.9 -32.48 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -62.11 -53.36 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.126 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -72.53 -15.77 61.77 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.402 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 71' ' ' GLN . 72.1 mmm -63.01 -49.87 72.93 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.4 m -57.02 -31.75 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.295 0.372 . . . . 0.0 111.562 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m -59.95 -43.52 94.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.033 0.444 . . . . 0.0 110.648 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.48 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.5 mt-30 -73.68 -40.57 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.64 -46.56 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.113 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.58 -40.31 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.84 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.64 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 65.6 t -60.18 -49.0 85.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.581 0.229 . . . . 0.0 110.542 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.27 -47.12 87.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.793 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 51.5 t30 -65.52 -38.92 91.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.1 t70 -61.55 -45.37 94.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.105 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 15.1 mmt180 -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.76 -27.56 66.62 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.021 0.438 . . . . 0.0 111.381 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 15.1 mm100 -82.54 -31.95 28.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.184 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 27.7 mmt180 -74.86 -49.96 18.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.401 0.619 . . . . 0.0 109.489 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -124.61 134.76 52.82 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.96 -42.95 99.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -138.96 149.85 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.06 142.18 27.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.9 t -83.51 179.58 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.982 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD13 ' HH ' ' A' ' 63' ' ' TYR . 19.9 tp -65.65 -34.86 79.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.645 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -75.97 -32.13 59.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.167 0.508 . . . . 0.0 110.154 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -75.25 -32.54 61.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.862 -174.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptp -67.09 -40.55 86.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.006 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 56' ' ' SER . 3.6 pt20 -74.17 -32.02 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.054 175.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 58' ' ' ILE . 34.7 tt0 -58.95 -48.77 80.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.043 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -37.14 81.07 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 37.0 t -51.95 -41.87 62.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.341 176.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.98 -33.22 73.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.3 mt -69.32 -38.78 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.316 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.48 HD22 ' HG2' ' A' ' 33' ' ' GLN . 69.9 mt -97.3 5.64 49.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.196 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 54.23 45.86 26.45 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.921 0.867 . . . . 0.0 110.129 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.55 -176.88 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.763 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.523 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 24.2 t -94.79 140.7 29.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.55 ' HH ' HD13 ' A' ' 49' ' ' LEU . 13.2 t80 -58.17 -35.76 72.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 175.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -64.82 -36.27 83.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.6 mm-40 -70.95 -46.34 62.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.489 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.55 -40.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.083 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 14.2 tmtt? -64.41 -44.68 90.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.162 0.506 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m -74.89 -37.93 61.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.86 -45.5 82.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.536 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 29.1 mm-40 -63.63 -46.4 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.493 . . . . 0.0 110.879 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.78 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 28.2 t-20 -71.93 -30.69 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.238 -175.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 42.8 tp60 -68.81 -38.98 80.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -72.92 -39.24 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.211 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.78 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 18.2 ptp -68.19 -28.2 67.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.701 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' NZ ' ' HA ' ' A' ' 73' ' ' GLN . 9.0 ptpp? . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.687 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -53.9 -42.01 68.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.389 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 36' ' ' VAL . 18.5 p -62.19 -45.61 92.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.98 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 35.0 tt0 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.949 -175.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.755 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -64.05 -40.2 95.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.923 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' THR . 92.8 t -66.89 -38.69 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 111.022 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 97.9 mt -63.92 -43.46 95.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 110.308 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.52 -36.61 81.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -53.44 -43.88 68.4 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.627 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HE ' HD21 ' A' ' 55' ' ' LEU . 6.8 mpt_? -76.25 -52.03 10.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.564 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.85 -20.76 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.59 -42.13 29.94 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.528 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -100.94 -8.66 22.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.815 0.34 . . . . 0.0 111.553 -174.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.745 ' HG2' HE22 ' A' ' 51' ' ' GLN . 7.0 tp60 -134.48 136.57 43.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.26 -38.66 91.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.761 0.315 . . . . 0.0 111.231 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -151.15 165.18 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.64 121.93 25.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.38 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -75.98 173.95 10.59 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.625 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.4 mt -66.22 -39.45 89.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.23 0.538 . . . . 0.0 109.954 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -67.5 -34.5 77.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.02 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.745 HE22 ' HG2' ' A' ' 44' ' ' GLN . 43.4 mt-30 -75.16 -44.45 46.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.077 -175.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.424 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.6 ptp -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.615 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 pt20 -74.23 -34.95 63.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.222 0.534 . . . . 0.0 110.277 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.564 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.07 -50.98 68.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.461 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 ' HE ' ' A' ' 40' ' ' ARG . 3.5 mm? -58.58 -42.07 87.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.673 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 p -62.83 -38.77 92.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.122 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.57 -37.96 83.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.762 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.6 mt -75.31 -46.14 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.73 5.77 12.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.734 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.452 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER 60.04 34.27 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.189 0.518 . . . . 0.0 110.507 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.99 177.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.879 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.693 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 25.3 t -93.6 145.48 24.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 75.8 t80 -57.2 -36.13 70.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.095 176.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.19 -38.87 91.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.68 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.4 mm-40 -68.12 -44.98 74.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.074 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.49 -42.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.911 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 8.1 tmtt? -61.94 -42.59 99.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.432 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.7 m -71.5 -40.79 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -60.55 -41.94 95.53 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.17 -48.09 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.54 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.512 . . . . 0.0 111.142 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -67.41 -45.07 77.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.827 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -64.52 -37.5 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.319 0.581 . . . . 0.0 109.821 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -70.9 -47.97 56.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.474 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.632 -173.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.225 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 p -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.412 0.445 . . . . 0.0 110.749 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.8 p -59.08 -48.07 82.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -57.53 -48.41 79.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.549 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.62 -29.94 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.623 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.81 -46.51 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.05 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' THR . 57.4 t -64.74 -41.01 91.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.004 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.63 -43.47 96.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.014 0.435 . . . . 0.0 110.225 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.502 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.39 -45.26 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.227 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' HD21 ' A' ' 47' ' ' LEU . 9.0 mpt_? -77.16 -51.45 10.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.532 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -72.95 -20.57 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -94.03 -8.45 39.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.985 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -109.86 -25.12 10.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.04 0.448 . . . . 0.0 111.188 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.784 HE21 ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -112.55 169.97 8.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.376 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -80.97 -46.61 14.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 0.0 109.85 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.683 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 49.9 m-85 -153.84 179.74 8.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 40' ' ' ARG . 63.1 mt -104.19 135.89 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.151 0.501 . . . . 0.0 110.813 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -86.68 -177.42 6.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.798 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.03 -36.29 79.14 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.782 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -73.88 -36.29 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.323 0.583 . . . . 0.0 110.331 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.532 ' HB3' HD23 ' A' ' 47' ' ' LEU . 91.9 mt-30 -76.38 -31.23 57.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.913 -175.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 -35.28 65.46 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.313 -0.242 . . . . 0.0 111.139 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.98 -31.81 63.15 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 110.349 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.584 ' O ' HG13 ' A' ' 58' ' ' ILE . 23.4 tt0 -62.52 -49.21 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -51.94 -51.44 57.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.966 -178.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -60.34 -37.75 81.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -66.48 -36.87 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.433 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.2 mt -72.84 -43.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.077 0.465 . . . . 0.0 111.437 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.63 7.99 43.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.897 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.66 52.75 9.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.896 0.855 . . . . 0.0 109.881 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.0 175.36 7.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.639 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.49 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 46.8 t -93.9 146.42 23.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.228 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -56.15 -40.03 73.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.586 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -36.85 84.01 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.329 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.49 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 98.6 mt-30 -65.2 -43.45 91.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.181 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' A' ' 55' ' ' LEU . 87.9 t -71.03 -41.94 76.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.691 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -63.37 -37.83 88.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.429 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.0 m -66.5 -43.09 86.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -63.95 -44.06 93.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.683 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 44.7 t80 -56.1 -49.64 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.033 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.762 ' HG3' ' HE2' ' A' ' 75' ' ' MET . 22.8 tp60 -63.04 -39.76 95.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -66.87 -46.98 73.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.37 -41.57 97.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -68.09 -37.14 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.762 ' HE2' ' HG3' ' A' ' 71' ' ' GLN . 67.4 mtm -70.79 -39.64 73.01 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.67 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.457 -0.095 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -57.04 -35.61 69.52 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.689 0.28 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -55.61 -46.28 77.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 110.348 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 13.0 mt-30 -70.66 -44.43 67.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.82 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.02 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.467 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.7 m -56.1 -44.97 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.497 0.189 . . . . 0.0 110.704 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.553 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 92.1 t -65.4 -44.86 94.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 90.0 mt -64.31 -45.33 88.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.148 0.499 . . . . 0.0 110.894 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.31 -32.73 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.98 -43.64 86.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 9.9 mpt_? -66.84 -47.43 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.79 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.35 -22.92 63.82 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -79.87 -27.25 40.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -103.21 -16.54 15.67 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.489 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -146.92 144.25 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -65.23 -46.88 78.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -145.0 169.21 18.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.464 0.173 . . . . 0.0 110.718 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.49 150.55 20.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -91.78 -179.45 5.33 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.537 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' HD11 ' A' ' 49' ' ' LEU . 2.4 tm? -64.11 -39.21 93.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.727 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.29 -28.2 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.049 0.452 . . . . 0.0 110.7 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.04 -40.6 53.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 ptp -62.95 -35.62 80.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.442 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.14 -33.43 63.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.087 175.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.9 tt0 -65.6 -53.76 37.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.8 -35.3 74.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 t -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.951 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -70.23 -37.32 74.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 0.0 110.934 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 54' ' ' GLU . 14.2 mm -66.54 -40.58 86.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.02 1.73 57.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.678 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 53.76 39.69 30.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.047 0.927 . . . . 0.0 109.808 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.39 177.35 4.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.992 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 31.4 t -87.36 148.07 25.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.312 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.08 -32.95 70.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.615 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.6 -35.71 81.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.545 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.507 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 55.2 mt-30 -72.24 -43.77 63.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -73.39 -37.91 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.237 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.3 -45.55 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.541 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -66.77 -36.63 82.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 42.4 t90 -60.28 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -56.04 -44.25 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.912 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -58.13 -48.23 80.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.462 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.24 -36.54 63.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.07 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 15.7 mm100 -61.11 -40.86 95.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -67.86 -39.49 83.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.262 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 70.8 mtm -66.96 -34.92 78.82 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.973 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.861 0.363 . . . . 0.0 110.667 175.081 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 36' ' ' VAL . 5.6 m -64.44 -45.63 86.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.482 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HA ' HD21 ' A' ' 59' ' ' LEU . 90.3 mt-30 -64.66 -45.48 86.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.27 -46.79 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.074 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.32 -35.55 81.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.991 -176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.59 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 90.9 t -68.06 -43.88 85.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 110.251 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -43.13 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.1 0.476 . . . . 0.0 110.579 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.68 -53.4 34.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.251 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -38.57 88.5 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.196 -173.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.59 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -52.08 -52.26 52.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.587 0.232 . . . . 0.0 111.276 173.029 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.96 -21.33 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -80.12 -27.31 39.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.676 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -90.53 -37.73 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -129.33 155.69 45.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.73 -49.04 76.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.089 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -143.7 -165.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -117.24 139.63 50.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.461 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.498 ' HB3' ' HG3' ' A' ' 51' ' ' GLN . 32.7 t -80.64 176.79 9.49 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -40.33 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.014 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.43 -36.32 80.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.363 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 48' ' ' SER . 43.5 mt-30 -75.07 -42.33 57.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.514 -175.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -65.48 -42.94 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.593 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -36.17 68.27 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.626 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.664 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.5 tp10 -69.82 -42.54 73.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.23 -35.88 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.58 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -56.13 -48.19 76.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.76 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 21.5 t30 -59.83 -41.47 91.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.212 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.664 HG13 ' O ' ' A' ' 54' ' ' GLU . 39.4 mt -69.23 -46.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.375 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -88.09 3.64 48.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 60.89 31.71 20.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.52 0.676 . . . . 0.0 109.819 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.92 -176.66 3.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.238 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -98.25 146.56 25.52 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -57.93 -34.36 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.311 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.2 -43.81 93.92 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' OE1' ' HA ' ' A' ' 65' ' ' GLN . 15.0 mm-40 -67.98 -41.6 82.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.1 -40.64 75.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.755 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -62.54 -43.94 97.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.645 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.2 m -60.86 -38.38 85.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.308 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -51.37 69.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.22 0.533 . . . . 0.0 110.317 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -40.57 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.228 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -73.1 -28.77 62.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.047 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 75' ' ' MET . 10.9 t-20 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.525 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 13.9 mm100 -58.38 -41.44 84.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 173.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 15.0 mmm180 -64.36 -44.81 90.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -71.66 -25.39 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.757 -174.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.525 ' HD3' ' OE1' ' A' ' 73' ' ' GLN . 14.0 ptmm? . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 t -60.57 -37.04 80.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.995 0.426 . . . . 0.0 109.972 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 36' ' ' VAL . 3.3 m -66.15 -41.08 90.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.695 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.35 -49.96 75.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.504 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.43 -30.72 69.67 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.665 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 45.7 t -66.18 -45.51 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.119 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.76 -44.04 94.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.423 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 11.4 t-20 -60.34 -49.06 79.11 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.4 t70 -56.66 -50.1 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.111 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 14.1 mmt180 -62.3 -40.82 97.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.222 -175.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -71.73 -22.44 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.095 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 16.0 mm100 -80.27 -25.21 39.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 174.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.3 mmt180 -83.33 -50.3 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.303 0.573 . . . . 0.0 110.115 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -126.94 153.11 46.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.002 -172.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.28 -51.43 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.487 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.687 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -147.32 152.98 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.171 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.37 144.52 34.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.838 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -79.0 177.38 8.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -40.3 94.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.431 -175.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -71.97 -36.65 69.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.628 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -70.98 -37.25 72.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.884 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.9 ptp -66.19 -44.55 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.29 -34.69 65.91 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.662 ' O ' HG13 ' A' ' 58' ' ' ILE . 8.0 tp10 -59.81 -53.24 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.36 -41.22 72.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.004 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -53.69 -54.39 38.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.5 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -66.73 -31.6 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.7 mt -70.46 -40.74 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.098 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.76 7.78 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.096 -177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 60.63 36.68 19.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.979 0.895 . . . . 0.0 110.084 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.15 174.18 5.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.234 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -96.57 140.11 31.68 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.322 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.82 -30.49 67.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.235 0.54 . . . . 0.0 109.742 174.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.11 -39.44 93.11 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.462 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 65' ' ' GLN . 10.4 mm-40 -75.38 -44.12 46.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.496 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.45 -41.75 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.943 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 70' ' ' PHE . 1.1 tmmt? -69.03 -39.91 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.054 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.0 m -68.22 -40.29 82.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.837 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.417 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 11.8 t90 -65.91 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.687 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 68.2 t80 -58.64 -45.19 89.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.552 173.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 74.0 mm-40 -65.94 -28.34 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.746 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 95.4 m-20 -66.49 -42.14 87.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.467 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.96 -37.36 79.33 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.575 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 1.9 mmp_? -64.09 -41.55 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.206 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.468 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 17.0 ptp -73.49 -34.89 65.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.766 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 97.7 mttt . . . . . 0 N--CA 1.465 0.282 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.552 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.68 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 38.8 ttmt -116.91 114.83 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -98.35 88.81 0.72 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.757 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.68 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 3.1 Cg_exo -78.68 64.01 8.6 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.894 2.396 . . . . 0.0 112.652 -173.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -72.62 -18.99 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.738 0.78 . . . . 0.0 110.252 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -154.17 -177.39 6.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.834 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.34 79.57 0.24 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.582 0.706 . . . . 0.0 111.318 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.61 176.1 5.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -95.26 90.15 5.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 m -56.27 110.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.529 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.8 t 60.35 83.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.27 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.95 -65.98 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.804 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -179.08 169.49 1.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.82 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -125.51 139.25 53.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.57 -30.65 46.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.556 0.693 . . . . 0.0 109.24 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.74 128.46 54.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.613 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 54.8 mtmt -125.07 40.93 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG11 ' HD2' ' A' ' 21' ' ' LYS . 61.9 t -104.98 90.43 3.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.77 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.613 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 23.1 Cg_exo -63.66 91.23 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.967 2.445 . . . . 0.0 113.26 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.6 t 48.26 88.0 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.092 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.442 ' HD2' HG11 ' A' ' 18' ' ' VAL . 99.3 mttt -138.17 160.5 39.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.339 176.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 tptt 70.15 20.83 6.2 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.665 0.603 . . . . 0.0 110.5 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 67.04 -165.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.783 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -108.68 142.3 39.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.688 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.7 p -93.83 30.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.731 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 26' ' ' ARG . 10.4 mmt180 67.78 -74.64 0.07 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.527 0.517 . . . . 0.0 110.511 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -90.32 139.2 30.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.14 154.61 15.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.836 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -108.49 144.82 35.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 47.0 t -90.68 154.35 19.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -63.89 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -61.86 -52.07 65.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.252 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.482 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.14 -45.87 83.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.21 -42.51 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.542 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -42.87 93.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -66.31 -42.29 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 95.1 mt -60.4 -49.39 77.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 58.2 t30 -66.84 -41.22 87.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.545 -176.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.657 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 20.1 t70 -60.67 -50.88 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.711 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -64.36 -35.2 80.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.287 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.35 -26.2 64.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 14.8 mm100 -86.73 -37.62 17.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.7 mmt180 -74.15 -46.36 42.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.105 0.479 . . . . 0.0 110.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -100.05 -178.64 3.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.752 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.41 -55.03 5.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.259 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -164.55 -170.43 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.922 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.54 120.95 34.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 110.021 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 t -78.64 177.15 8.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.855 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 52' ' ' MET . 51.0 tp -60.79 -38.96 87.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.305 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.711 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 9.0 tt0 -77.33 -42.58 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.392 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.26 -34.76 68.95 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 22.6 ptp -64.31 -34.66 78.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.247 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.711 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 -75.77 -35.68 60.05 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.567 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.644 ' O ' HG13 ' A' ' 58' ' ' ILE . 1.9 mp0 -58.54 -53.74 54.88 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 109.97 172.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.26 -43.58 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.481 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 t -53.35 -46.4 69.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.747 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.31 -36.45 82.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 54' ' ' GLU . 28.6 mt -70.09 -44.91 77.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -175.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.01 7.27 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.507 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.19 31.33 19.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.697 0.761 . . . . 0.0 110.343 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -107.97 -178.0 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.667 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.813 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.2 t -99.83 143.77 29.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.138 0.494 . . . . 0.0 110.856 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.64 -30.98 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.555 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -69.81 -36.77 75.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.139 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.813 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 10.5 mm100 -75.22 -44.89 43.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.41 -39.97 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.33 -46.2 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.761 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.462 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.94 -47.24 86.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.042 0.449 . . . . 0.0 110.039 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -61.83 -47.73 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.273 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -67.51 -30.44 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.651 0.262 . . . . 0.0 111.639 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.93 -47.59 61.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.076 0.465 . . . . 0.0 109.897 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 86.2 mm-40 -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.481 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -77.31 -14.56 59.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 64.6 pttt -61.23 -28.42 69.15 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.312 -177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.21 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -92.99 -45.5 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.698 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 80' ' ' TRP . 68.7 mtp180 -108.86 -78.21 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.774 -177.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 51.0 t-105 173.9 155.88 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -82.77 135.26 35.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.419 . . . . 0.0 110.415 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.27 138.5 54.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.313 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -42.76 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.1 t30 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.778 -179.772 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -164.16 26.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.353 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -53.5 144.46 32.46 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.398 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.53 -4.71 15.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.798 2.332 . . . . 0.0 112.525 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.89 81.45 8.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.181 0.515 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -107.94 -39.95 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 171.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.0 -83.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.739 -1.118 . . . . 0.0 108.594 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -137.73 172.55 12.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -92.11 140.98 29.1 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.645 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 11' ' ' VAL . 17.0 m -89.55 139.36 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 10' ' ' SER . 1.6 m 59.28 170.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.221 1.008 . . . . 0.0 111.254 -173.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.35 101.82 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.437 0.636 . . . . 0.0 111.402 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -78.94 62.02 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.423 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 65.1 56.31 1.04 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.126 -171.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 71.69 164.59 0.28 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 113.919 -1.492 . . . . 0.0 112.221 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -91.06 110.47 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.04 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -79.22 67.78 5.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.903 -171.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 20' ' ' VAL . 61.6 t -134.0 86.1 38.42 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-O 121.014 0.435 . . . . 0.0 110.534 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.93 101.9 0.67 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.186 2.591 . . . . 0.0 111.66 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 18' ' ' VAL . 40.0 t -122.58 77.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.536 0.684 . . . . 0.0 110.473 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -164.76 141.58 6.09 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.569 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -76.32 75.42 3.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 0.0 109.989 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 28.0 pt20 -143.75 125.07 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 111.364 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -121.9 96.68 5.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.39 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -78.37 16.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.958 -166.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' THR . 71.9 mtp180 69.55 -70.61 0.14 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.038 0.447 . . . . 0.0 111.088 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -98.83 142.85 29.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.39 163.89 36.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.212 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -100.72 152.88 19.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 m -67.87 163.16 22.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.471 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -52.6 -48.03 66.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.7 m -65.19 -41.55 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 110.734 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.8 mt-30 -62.2 -48.02 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.23 -46.05 91.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.71 -49.8 75.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.342 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 42.0 t -66.53 -40.55 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.745 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.77 -47.89 81.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.94 -33.75 70.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.32 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -54.25 -44.94 72.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.094 0.473 . . . . 0.0 110.588 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 18.2 mmm180 -65.27 -42.58 93.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.97 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -74.15 -21.58 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.475 0.655 . . . . 0.0 111.213 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -76.75 -49.94 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 43' ' ' ARG . 59.5 mtt-85 -94.36 -10.42 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.524 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -139.76 156.49 46.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.763 0.316 . . . . 0.0 111.546 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -149.3 172.86 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.256 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -77.97 136.14 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 m -84.47 174.45 10.05 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.72 -41.66 98.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -72.47 -35.83 68.32 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.761 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 73.7 mt-30 -75.56 -31.19 59.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -174.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.8 ptp -68.85 -40.18 79.53 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.627 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.29 -34.15 63.45 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.532 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.6 ' O ' HG13 ' A' ' 58' ' ' ILE . 27.2 tt0 -63.87 -50.06 70.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.094 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -58.92 -39.42 81.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 178.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -45.26 71.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.29 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.08 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 54' ' ' GLU . 32.4 mt -65.41 -42.45 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.803 -175.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' A' ' 33' ' ' GLN . 34.0 mt -93.33 1.4 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.303 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 58.52 38.7 25.42 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.946 0.879 . . . . 0.0 110.08 -176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.9 mt -108.03 -176.68 3.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.452 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 t -98.81 142.14 30.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -53.97 -37.68 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.644 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.35 -37.48 80.54 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.194 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.793 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -69.2 -43.15 74.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.446 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.31 -39.15 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.963 0.411 . . . . 0.0 110.304 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -64.02 -49.43 72.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.941 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -64.43 -46.92 81.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.267 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -59.18 -48.33 82.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.391 . . . . 0.0 110.111 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -56.64 -51.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.325 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.824 ' HG3' ' HE1' ' A' ' 75' ' ' MET . 22.2 tp60 -62.73 -36.85 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 111.088 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.75 -51.04 53.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.75 -36.51 83.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.062 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.75 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.24 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.824 ' HE1' ' HG3' ' A' ' 71' ' ' GLN . 74.5 mtm -78.53 -41.16 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 80' ' ' TRP . 91.9 mttt -73.86 -22.61 59.69 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.9 p -74.99 -26.89 59.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 111.179 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.52 -43.37 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -137.56 -76.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.947 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 76' ' ' LYS . 2.8 p-90 -178.63 -171.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.421 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.94 129.38 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -87.39 150.03 24.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.226 -177.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.53 127.86 33.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.637 -179.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 57.1 tttp -73.42 -8.69 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 79.4 mt-30 72.46 157.63 0.16 Allowed Pre-proline 0 N--CA 1.465 0.31 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' HA ' HH12 ' A' ' 40' ' ' ARG . 33.3 Cg_exo -57.93 105.67 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -86.31 152.84 22.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -54.86 147.32 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.003 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.22 -176.5 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.843 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -94.14 -170.19 2.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.695 0.284 . . . . 0.0 110.898 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -83.47 170.81 14.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.92 -173.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 t 68.28 77.77 0.24 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.29 131.29 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.839 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 119.83 26.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.761 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -77.39 -25.71 51.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 1.032 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -149.18 118.8 6.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 111.746 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.7 mp0 -58.78 -46.71 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.137 176.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -85.97 24.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.972 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.13 174.67 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.761 0.663 . . . . 0.0 112.528 174.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.802 HG23 ' HB2' ' A' ' 21' ' ' LYS . 14.5 p 43.04 84.64 0.18 Allowed Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.674 176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -56.33 98.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.761 2.974 . . . . 0.0 114.645 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 20' ' ' VAL . 17.0 t 58.38 39.96 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.209 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.802 ' HB2' HG23 ' A' ' 18' ' ' VAL . 5.1 mptp? -98.51 -13.76 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.545 0.688 . . . . 0.0 109.286 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -88.85 84.58 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.313 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.26 155.38 40.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.926 -174.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.719 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 13.5 t -127.55 -178.87 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' THR . 47.1 mtp180 71.72 -70.86 0.15 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.254 0.621 . . . . 0.0 111.082 -176.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 p -140.64 145.81 37.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.96 157.24 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.113 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -114.55 171.05 7.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.418 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -125.11 151.76 45.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -69.57 -34.9 74.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.495 ' O ' HG21 ' A' ' 36' ' ' VAL . 13.0 m -54.91 -43.7 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.053 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' HG2' HD22 ' A' ' 59' ' ' LEU . 29.3 mt-30 -71.51 -42.71 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.55 -37.87 89.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.132 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.79 -42.72 98.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.849 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 32' ' ' THR . 67.6 t -63.56 -38.36 82.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD12 ' CH2' ' A' ' 69' ' ' TRP . 73.5 mt -65.65 -42.27 91.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.284 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 44.0 t-20 -63.42 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.041 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 10.4 t70 -59.81 -56.51 20.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.585 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.424 HH12 ' HA ' ' A' ' 4' ' ' PRO . 2.4 mpt_? -58.98 -40.37 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.482 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.91 -20.77 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.671 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -90.38 -42.23 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 15.7 mmm-85 -68.7 -39.81 80.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.135 0.493 . . . . 0.0 110.162 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -119.17 -178.02 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.465 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 12.5 mptt -88.11 -43.88 11.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.713 ' HB3' ' HZ ' ' A' ' 70' ' ' PHE . 64.6 m-85 -139.47 164.4 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.497 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.7 mp -84.88 128.92 34.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.722 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -81.39 176.66 9.52 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.724 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.5 mm? -62.19 -36.04 80.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.427 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -35.42 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.074 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.32 -41.89 72.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.553 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 19.9 ptp -68.33 -34.78 76.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.643 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.83 -32.43 61.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.702 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.541 ' O ' HG13 ' A' ' 58' ' ' ILE . 37.5 tt0 -64.96 -48.38 74.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 109.868 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.39 -44.81 95.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.575 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.533 ' HB3' HG23 ' A' ' 66' ' ' VAL . 2.5 p -62.88 -32.24 73.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.065 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.81 88.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.5 mt -72.24 -47.03 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -174.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' A' ' 33' ' ' GLN . 77.3 mt -86.99 6.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 54.53 57.32 5.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.658 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.6 164.54 24.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.69 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 t -72.86 141.03 47.94 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.441 ' CE1' ' HG3' ' A' ' 52' ' ' MET . 56.5 t80 -57.4 -36.05 70.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.4 -40.12 85.61 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.091 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.92 -41.33 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG23 ' HB3' ' A' ' 56' ' ' SER . 79.9 t -68.89 -39.85 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 0.0 110.039 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.44 -44.66 93.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.718 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.0 m -70.3 -43.37 70.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.001 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.446 ' CH2' HD12 ' A' ' 37' ' ' LEU . 64.0 t90 -60.73 -43.99 97.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.713 ' HZ ' ' HB3' ' A' ' 46' ' ' TYR . 68.1 t80 -61.02 -49.32 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.967 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -66.01 -28.7 69.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.618 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 23.9 t-20 -69.84 -45.65 67.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.219 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 81.9 mm-40 -64.57 -31.72 73.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.12 0.486 . . . . 0.0 110.224 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.33 -41.79 69.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.037 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.618 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 23.0 ptp -72.0 -29.04 63.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.695 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.8 mmtp -61.72 -37.53 84.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.213 0.53 . . . . 0.0 109.834 173.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -75.3 -27.16 59.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.44 -177.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.44 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 2.0 tmmm? -67.99 -64.57 0.83 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -144.42 -75.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.504 0.669 . . . . 0.0 110.746 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -167.02 95.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.435 ' HA ' ' HG3' ' A' ' 75' ' ' MET . 1.4 mp0 58.28 -172.0 0.1 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.532 -166.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HZ2' ' HB3' ' A' ' 82' ' ' LYS . 3.2 ttpm? -100.17 66.66 1.33 Allowed 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.953 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -115.35 102.77 10.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.949 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.324 -173.398 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 70.91 2.6 4.27 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.233 0.613 . . . . 0.0 112.094 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 59.13 87.11 0.14 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.394 0.434 . . . . 0.0 111.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.46 -166.47 0.13 Allowed 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.764 2.309 . . . . 0.0 112.203 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 m 71.84 81.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -143.21 -62.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.897 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.98 -0.89 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.26 3.13 21.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.1 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.33 96.14 0.34 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 p -166.53 102.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.607 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.38 151.84 6.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 57.1 62.94 2.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.557 0.694 . . . . 0.0 109.593 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 56.5 tptt -81.7 -13.52 57.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.857 -172.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.58 46.37 2.47 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -72.63 -25.49 61.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.603 -1.635 . . . . 0.0 110.596 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.44 -168.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.826 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -156.61 129.62 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.75 89.56 38.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.829 -171.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.34 173.12 9.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.352 2.035 . . . . 0.0 110.814 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.57 72.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.195 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.2 tttt 70.44 80.22 0.17 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.223 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -96.43 -49.92 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.119 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -138.19 169.66 17.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.513 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 46.0 mtpt -103.01 98.75 8.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 111.043 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -88.6 101.7 14.22 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -66.15 -69.24 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.021 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -100.4 139.18 36.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -142.45 161.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.645 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -101.65 173.52 6.38 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . 16.2 m -70.41 154.64 41.67 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -51.69 -46.35 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.228 0.33 . . . . 0.0 110.789 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 36' ' ' VAL . 11.5 m -58.99 -41.63 88.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.454 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.682 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 6.3 mm100 -67.72 -44.29 77.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.075 0.464 . . . . 0.0 109.833 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.24 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.851 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.06 -46.77 84.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.448 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.633 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 94.7 t -60.14 -42.12 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.56 -46.96 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.775 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -66.79 -44.78 80.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 7.7 t70 -59.14 -48.29 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.143 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.633 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 6.2 mpt_? -64.82 -45.92 84.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-85 -69.91 -21.19 63.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.498 . . . . 0.0 111.156 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -74.41 -30.78 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 37.7 mtt180 -90.01 -43.3 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.328 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 78.9 mt-30 -129.01 136.87 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.634 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.92 -43.16 96.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.21 150.05 48.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.522 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.8 148.98 29.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 m -80.83 175.7 10.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.983 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.27 -42.79 83.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.65 -26.87 63.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.182 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -74.87 -43.24 55.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.822 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.5 -38.26 90.4 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.551 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.85 -32.98 63.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.804 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.632 ' O ' HG13 ' A' ' 58' ' ' ILE . 9.4 tp10 -71.64 -38.03 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.52 -46.96 87.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.514 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.3 p -60.37 -37.19 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.532 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.93 -38.62 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 54' ' ' GLU . 26.4 mt -70.91 -44.21 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.949 0.404 . . . . 0.0 111.22 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD13 ' NE2' ' A' ' 33' ' ' GLN . 3.2 mm? -88.71 4.69 46.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.427 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.2 20.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.53 175.72 5.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.792 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 13.3 t -81.94 143.85 31.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.247 0.546 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -57.26 -36.78 71.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.288 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -71.97 -30.66 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.876 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.792 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 57.1 mt-30 -65.0 -43.83 91.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 91.9 t -71.75 -45.57 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.302 0.572 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -58.43 -44.24 89.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.42 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -74.78 -39.14 61.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -62.71 -49.53 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.58 -42.54 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.291 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' A' ' 75' ' ' MET . 6.5 tp-100 -65.71 -46.61 78.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.25 -38.76 88.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.622 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.52 -48.61 81.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.402 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -72.23 -25.46 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.034 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.517 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 57.4 mtm -66.91 -42.81 84.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.7 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.44 -35.69 72.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -73.14 -41.1 64.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.585 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HE2' ' HG2' ' A' ' 75' ' ' MET . 62.8 pttt -80.5 -46.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.726 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -142.8 -75.79 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -167.04 174.63 8.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.978 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -86.5 94.67 9.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -90.81 99.05 12.15 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -77.98 -29.23 49.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.718 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.879 -179.219 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.55 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 56.5 p . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.465 0.174 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 66.32 90.37 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.781 0.8 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 6.1 pt20 -103.01 91.24 2.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.18 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 3' ' ' GLN . 30.5 Cg_endo -60.1 119.86 7.31 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.848 2.365 . . . . 0.0 112.184 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -86.96 178.13 7.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -53.54 108.4 0.34 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.296 0.569 . . . . 0.0 111.422 -178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.63 2.68 1.24 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.126 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -86.08 175.57 8.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.661 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 10' ' ' SER . 13.1 t30 -128.91 -168.08 1.87 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.512 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 18.4 t -59.37 104.68 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 0.0 110.769 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.606 HG21 HG23 ' A' ' 32' ' ' THR . 33.3 t -75.71 142.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.183 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 179.47 4.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -69.67 -26.5 64.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.505 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -107.11 168.32 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.222 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.84 -70.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.441 0.463 . . . . 0.0 112.121 -174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -110.53 -173.97 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.551 ' HD3' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -87.99 27.82 1.13 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.737 -178.152 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -129.4 72.76 81.94 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -87.51 82.01 1.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.358 2.039 . . . . 0.0 112.8 -172.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.95 23.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.903 0.858 . . . . 0.0 109.018 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' HZ3' ' C ' ' A' ' 84' ' ' ASN . 68.6 mttm -111.48 87.7 2.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.141 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.517 ' HB2' ' HZ3' ' A' ' 22' ' ' LYS . 9.8 mtmp? -96.33 39.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.587 177.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.813 ' HA ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -79.63 -3.7 48.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.389 -175.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -90.79 82.49 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.13 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 p -88.09 -19.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.712 0.768 . . . . 0.0 109.452 171.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -100.8 135.21 42.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.682 -1.145 . . . . 0.0 108.8 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.78 141.22 45.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.372 0.606 . . . . 0.0 112.113 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.93 -164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.985 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.524 ' HB3' HE21 ' A' ' 33' ' ' GLN . 22.6 m-30 -85.52 175.13 8.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m -72.21 158.56 35.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 p -52.48 -42.54 64.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.45 0.468 . . . . 0.0 111.888 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.606 HG23 HG21 ' A' ' 11' ' ' VAL . 16.5 m -56.66 -50.82 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.531 ' HG2' HD22 ' A' ' 59' ' ' LEU . 8.1 mt-30 -67.58 -39.85 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.707 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.16 -44.3 87.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.08 -41.95 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 32' ' ' THR . 85.1 t -64.38 -44.16 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.061 0.458 . . . . 0.0 110.619 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD12 ' CH2' ' A' ' 69' ' ' TRP . 95.1 mt -61.97 -49.95 74.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.98 -39.86 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.649 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 18.0 t70 -59.85 -51.49 69.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -75.17 -28.17 59.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -176.253 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.01 -18.63 63.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 111.002 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -83.57 -49.51 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.9 mmt180 -66.45 -52.66 44.01 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 109.836 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -90.73 -177.96 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.093 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 63.3 mmtt -112.04 -37.54 5.05 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.434 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 32.2 m-85 -146.99 176.87 9.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.24 137.43 37.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.156 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 p -92.12 179.47 5.57 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.64 -38.04 83.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.672 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.74 -43.67 58.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.911 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.55 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 28.8 mt-30 -62.99 -39.65 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.754 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.37 -38.98 81.92 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.07 -40.06 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.614 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.616 ' O ' HG13 ' A' ' 58' ' ' ILE . 43.9 mt-10 -71.91 -38.44 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.785 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.37 -39.22 89.84 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.928 0.394 . . . . 0.0 110.289 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -52.95 -47.24 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.933 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.86 -40.13 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.7 mt -71.86 -47.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.229 -175.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.531 HD22 ' HG2' ' A' ' 33' ' ' GLN . 89.3 mt -78.74 -0.23 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -175.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.17 25.46 13.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.802 0.81 . . . . 0.0 110.205 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.85 173.4 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.915 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.565 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 26.3 t -81.46 148.47 29.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 64.5 t80 -61.25 -33.97 74.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.582 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.02 -36.18 79.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.874 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.565 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 56.3 mt-30 -68.07 -44.06 77.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.189 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.14 -42.97 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.011 0.434 . . . . 0.0 110.734 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 47.7 tttp -63.79 -50.37 69.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.328 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.9 m -66.24 -36.15 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.203 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' HD12 ' A' ' 37' ' ' LEU . 27.7 t90 -64.07 -48.82 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.021 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 54.1 t80 -59.82 -40.8 89.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.433 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' HG3' ' HE2' ' A' ' 75' ' ' MET . 21.9 tp60 -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.741 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.603 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 11.5 m-80 -79.28 -44.35 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.082 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 70' ' ' PHE . 19.6 pt20 -61.9 -31.03 71.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.503 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -71.24 -44.23 65.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.301 178.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.603 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 21.2 ptp -78.9 -60.98 2.16 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 75' ' ' MET . 16.6 ptpt -88.03 -19.17 27.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -165.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.54 -10.44 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.583 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HE2' ' HB3' ' A' ' 78' ' ' LYS . 38.5 mtpt -66.28 -32.7 74.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.575 0.226 . . . . 0.0 111.316 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -81.66 -28.7 33.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.835 0.35 . . . . 0.0 111.456 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -102.4 97.15 7.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.245 0.545 . . . . 0.0 110.184 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -101.33 23.14 11.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.714 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.9 97.81 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.826 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -134.41 118.29 17.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.461 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.435 ' C ' ' HZ3' ' A' ' 21' ' ' LYS . 6.8 t30 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.271 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.596 ' HB3' ' HZ1' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -143.52 -20.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 177.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 53.37 73.33 0.94 Allowed Pre-proline 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 110.588 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.56 -4.83 14.45 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.612 2.208 . . . . 0.0 112.388 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -62.59 96.07 0.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.438 0.637 . . . . 0.0 110.788 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -138.48 8.45 2.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.162 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.08 171.07 11.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.109 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -145.21 98.71 3.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -128.28 174.83 8.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.6 p -121.77 -30.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t 69.01 112.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.733 0.645 . . . . 0.0 111.283 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.57 81.88 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.44 . . . . 0.0 110.944 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -168.18 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.984 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 63.18 -170.72 0.18 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.395 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 66.4 mm-40 -95.77 -35.12 11.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.734 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -78.55 94.67 5.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.846 0.831 . . . . 0.0 110.728 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.9 135.67 34.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.321 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t 56.02 74.28 0.72 Allowed Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 109.809 -172.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.54 111.44 3.15 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.123 2.549 . . . . 0.0 112.826 -174.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 t -112.77 68.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 71.82 149.86 0.09 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.141 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -138.65 -68.8 0.44 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.113 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 58.76 -164.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.951 0.405 . . . . 0.0 111.534 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -165.15 119.61 1.29 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 173.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.509 HG23 ' HD2' ' A' ' 26' ' ' ARG . 15.2 t -85.58 -0.31 54.68 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.495 0.664 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HD2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -169.49 174.44 5.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 175.471 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -77.92 141.35 39.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.318 0.58 . . . . 0.0 111.848 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -152.31 -168.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.451 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.76 128.66 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t -78.25 159.15 28.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.155 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 m -49.88 -40.04 41.52 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 123.622 0.576 . . . . 0.0 110.842 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.477 ' O ' HG21 ' A' ' 36' ' ' VAL . 7.3 m -56.64 -53.03 62.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.958 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HG2' HD11 ' A' ' 59' ' ' LEU . 48.5 mt-30 -66.39 -37.93 86.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.719 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.18 -47.39 85.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' SG ' ' HG2' ' A' ' 15' ' ' GLU . 93.8 m -63.54 -36.19 82.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.373 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 77.4 t -61.72 -46.3 96.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.533 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.41 -44.15 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.034 0.445 . . . . 0.0 110.131 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -64.24 -36.42 84.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.58 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -65.01 -46.73 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.864 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 12.2 mmm180 -58.98 -41.69 88.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.566 0.222 . . . . 0.0 110.656 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.654 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 28.9 m-85 -74.35 -21.31 59.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.328 0.585 . . . . 0.0 111.372 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -38.21 59.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.573 174.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.8 mmt180 -69.53 -52.95 21.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -129.14 149.06 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.601 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.73 -39.29 93.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.54 157.58 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.74 147.65 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.329 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 p -89.83 177.97 6.36 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.812 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.3 -36.85 85.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.397 0.618 . . . . 0.0 109.707 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.84 -40.0 69.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.016 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -73.3 -34.08 65.54 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.35 -43.59 90.37 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.041 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.2 -31.79 64.4 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.433 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.9 tt0 -58.5 -53.96 52.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.978 173.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.959 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 63' ' ' TYR . 32.3 m -53.98 -53.14 57.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.243 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.69 -33.1 75.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.0 mt -71.37 -37.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 33' ' ' GLN . 27.5 tp -92.2 0.04 57.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.18 29.2 18.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.993 0.902 . . . . 0.0 109.76 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.35 165.44 11.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.403 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -82.04 144.03 31.13 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.447 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 20.3 t80 -53.81 -41.24 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.884 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.33 -26.83 63.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.47 -38.43 59.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.39 -42.25 64.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.282 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -62.23 -50.28 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.2 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.8 m -62.73 -42.4 99.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.654 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 39.8 t90 -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.527 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 29.3 t80 -60.87 -42.61 98.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.19 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 5.3 tp-100 -66.76 -35.64 80.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 0.0 110.432 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.507 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 11.8 m-80 -67.85 -50.95 53.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 70' ' ' PHE . 5.0 pp0? -63.21 -30.73 71.82 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 48.0 ttt180 -67.38 -45.06 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.079 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 69.7 mtm -64.81 -37.22 86.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.567 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 35.4 mmtp -61.32 -45.07 95.98 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -74.16 -21.95 59.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.563 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -88.46 -46.01 9.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -81.2 -62.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.642 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -68.67 150.74 47.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.424 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.95 85.18 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 0.0 109.912 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -92.46 -35.93 13.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.287 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t30 63.45 89.44 0.09 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.601 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 C--O 1.252 1.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.7 179.451 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.461 ' H1 ' ' CD ' ' A' ' 54' ' ' GLU . 1.4 m . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.112 0.482 . . . . 0.0 110.068 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.86 113.34 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.288 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 62.5 86.07 0.16 Allowed Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.278 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.48 -168.73 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.852 2.368 . . . . 0.0 112.23 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 p 54.89 104.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 112.816 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -80.61 91.15 5.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.28 -176.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.42 83.63 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.542 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 63.17 68.83 0.6 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.737 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 10' ' ' SER . 2.8 t-20 64.02 -174.09 0.17 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.91 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.448 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 3.6 m -74.09 114.4 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -79.38 108.05 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.192 0.52 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 67.6 167.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.605 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.915 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.5 OUTLIER 63.04 23.53 14.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.875 176.214 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.28 153.69 39.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.87 113.6 3.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -125.4 87.21 2.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.938 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -137.39 100.16 4.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.377 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 20' ' ' VAL . 14.7 t -124.08 85.79 54.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.37 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -80.17 97.41 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.481 2.121 . . . . 0.0 112.543 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 18' ' ' VAL . 4.1 t -119.12 31.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.821 0.82 . . . . 0.0 109.94 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -114.94 -77.18 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.134 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 76.7 tttt -140.11 106.49 5.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.324 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 19.5 tt0 179.26 78.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.503 0.502 . . . . 0.0 110.455 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.85 98.34 9.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -101.88 152.61 20.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.493 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -66.59 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.393 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.75 143.69 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 0.0 111.088 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 m -153.94 171.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.841 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.98 148.93 21.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -75.22 154.54 37.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -61.72 -28.95 69.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -72.63 -46.75 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.753 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HG2' HD13 ' A' ' 59' ' ' LEU . 48.7 mt-30 -63.68 -39.64 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.63 -34.34 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.73 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.56 -37.8 80.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 110.531 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.44 -43.43 81.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.154 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 27.9 t-20 -65.71 -43.53 88.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.72 -41.65 74.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.517 ' HE ' HD12 ' A' ' 55' ' ' LEU . 1.2 mpt_? -55.28 -48.8 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.9 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.41 -21.64 59.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.043 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 12.4 mm100 -86.28 -24.93 25.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 111.575 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.595 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 2.4 mmp_? -85.9 -43.13 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.705 0.288 . . . . 0.0 110.456 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 44' ' ' GLN . 1.1 mp0 -128.27 144.53 51.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -63.68 -24.02 67.61 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.308 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -147.79 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.4 pp -107.65 128.13 54.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.324 0.583 . . . . 0.0 110.422 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -82.98 -174.54 5.34 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.259 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.02 -34.44 75.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.62 0.724 . . . . 0.0 109.237 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -29.22 62.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.057 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -75.54 -44.7 42.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.862 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.9 ptp -60.15 -38.77 84.16 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.29 -37.17 66.32 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.342 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 58' ' ' ILE . 39.9 tt0 -64.0 -44.76 91.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.144 0.497 . . . . 0.0 109.937 175.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD12 ' HE ' ' A' ' 40' ' ' ARG . 50.1 tp -58.62 -46.13 87.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.874 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.3 m -52.78 -48.81 66.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.034 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -61.66 -33.76 74.53 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.745 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 54' ' ' GLU . 14.2 mt -72.31 -39.58 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.0 111.442 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD13 ' HG2' ' A' ' 33' ' ' GLN . 3.4 mm? -95.23 1.98 54.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.398 -175.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 36.99 18.44 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mp -107.95 168.97 8.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.347 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.583 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 42.5 t -84.81 137.97 32.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.283 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.66 -33.43 66.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.059 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.76 -37.83 76.55 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.958 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 84.4 mm-40 -68.85 -46.33 68.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -40.41 86.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 111.053 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.203 0.525 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -71.44 -34.19 70.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.685 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -56.92 -48.66 77.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.48 -41.04 88.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.096 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -67.33 -33.17 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 16.1 m-80 -74.3 -45.14 49.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.13 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.48 -40.08 93.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -55.08 -49.97 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 176.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.28 -36.46 66.32 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.231 -172.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 19.9 ptmt -85.54 -20.84 29.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.907 -175.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.3 m -65.55 -35.99 82.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.09 175.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -76.21 -64.8 1.02 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.95 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -145.59 -69.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -167.2 -177.45 3.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -70.32 108.24 4.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.118 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 1.6 ptmt -79.97 108.89 13.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.327 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.16 22.84 14.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.902 0.858 . . . . 0.0 109.383 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.4 t30 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.856 177.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 5.5 m . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.542 0.211 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HG2' ' OE1' ' A' ' 3' ' ' GLN . 34.7 ttpt 174.56 -50.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.458 HE21 ' HB2' ' A' ' 3' ' ' GLN . 0.6 OUTLIER -126.93 86.1 59.56 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.81 -55.87 2.08 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.473 2.116 . . . . 0.0 112.332 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 6' ' ' SER . 0.2 OUTLIER 55.15 -164.67 0.12 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.083 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' H ' HG23 ' A' ' 5' ' ' THR . 8.2 t -175.29 103.91 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.101 0.409 . . . . 0.0 111.026 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.76 82.39 0.09 Allowed 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.705 0.628 . . . . 0.0 111.649 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.04 101.26 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.569 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.56 20.75 12.25 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.734 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.3 p -136.35 39.07 2.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.386 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.11 108.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.277 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.32 148.41 44.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.724 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp 65.26 97.49 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.002 0.814 . . . . 0.0 111.164 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -135.65 160.39 38.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.25 100.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.106 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -138.96 158.5 44.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.55 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mppt? 58.77 61.03 2.29 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.382 0.426 . . . . 0.0 110.71 -173.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -116.26 87.13 18.92 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.891 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.15 -171.93 1.02 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.628 2.219 . . . . 0.0 112.487 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.7 t 63.18 88.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.458 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -162.71 30.27 0.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.42 -32.98 64.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.257 0.551 . . . . 0.0 110.166 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -115.67 107.42 15.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.879 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.73 92.85 5.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.101 0.477 . . . . 0.0 110.011 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 t -105.34 -5.22 20.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.358 0.599 . . . . 0.0 109.943 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -138.61 161.91 35.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.262 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.19 162.13 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 0.0 111.169 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.4 m -142.84 168.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.844 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -92.26 163.42 13.91 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -75.24 154.18 37.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -58.13 -38.81 77.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.06 0.457 . . . . 0.0 110.14 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 36' ' ' VAL . 4.6 m -60.66 -48.16 83.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HG2' HD23 ' A' ' 59' ' ' LEU . 55.1 mt-30 -60.98 -47.88 84.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.27 -43.98 92.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.703 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.93 -45.4 93.84 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.489 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.627 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 73.5 t -60.71 -44.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.752 -0.203 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 110.713 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -66.78 -41.49 87.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.634 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 1.1 m-20 -68.18 -31.56 71.19 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.428 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -62.39 -40.72 97.39 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.771 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.99 -28.3 57.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -83.12 -50.04 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.6 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.2 mmt180 -77.9 -38.98 44.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.429 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 mp0 -102.16 -178.91 3.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 41.0 tptt -90.93 -52.88 4.63 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.85 176.57 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.738 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 40' ' ' ARG . 7.3 mp -102.81 129.62 49.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.95 177.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.7 p -83.15 -177.36 6.73 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.32 -29.59 69.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.046 0.451 . . . . 0.0 110.093 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.83 -45.85 33.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.169 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 47' ' ' LEU . 28.7 mt-30 -62.33 -34.86 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.523 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.8 ptp -66.66 -43.24 85.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.023 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 20.4 pt20 -73.97 -36.69 64.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.24 0.543 . . . . 0.0 110.168 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 58' ' ' ILE . 22.1 tt0 -63.38 -38.04 89.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.14 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.477 HD11 HG12 ' A' ' 36' ' ' VAL . 32.5 tp -80.08 -37.47 33.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.383 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.413 ' HB3' HG23 ' A' ' 66' ' ' VAL . 80.2 p -57.55 -33.06 67.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.563 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.15 -35.44 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 54' ' ' GLU . 22.9 mt -72.02 -47.31 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.006 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD23 ' HG2' ' A' ' 33' ' ' GLN . 97.4 mt -82.49 4.99 22.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.483 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 56.52 64.05 1.79 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.832 0.825 . . . . 0.0 110.072 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -137.31 171.28 14.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.458 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.723 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.8 t -86.29 146.91 26.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.482 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.477 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 29.1 t80 -57.51 -36.83 72.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -71.02 -35.33 71.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.11 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.723 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 15.9 mm100 -65.87 -44.79 84.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.268 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' A' ' 56' ' ' SER . 72.3 t -72.94 -38.28 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.646 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.523 ' HG2' ' SD ' ' A' ' 52' ' ' MET . 3.6 tmtm? -58.37 -45.97 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.279 0.562 . . . . 0.0 109.747 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.4 m -63.96 -49.24 73.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.09 -44.22 97.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.0 -47.81 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.809 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -69.21 -42.41 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.567 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 19.5 t-20 -63.91 -50.3 69.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.77 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -59.65 -38.61 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -67.45 -48.95 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.567 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 24.8 ptm -70.34 -37.89 74.76 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.827 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -80.09 -27.3 39.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.074 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.2 t -74.24 -24.26 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 110.019 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 6.3 mmmt -73.98 -29.65 62.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.714 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -91.9 -51.68 5.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -115.99 101.6 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.071 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.15 87.57 7.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.017 0.436 . . . . 0.0 110.433 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -87.73 -19.95 26.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.01 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.94 173.68 11.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.941 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.101 176.803 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -142.98 25.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 0.0 109.446 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 12.8 mm-40 -139.18 88.59 12.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.034 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.659 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.9 Cg_endo -66.84 -3.72 9.96 Favored 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 123.616 2.877 . . . . 0.0 113.486 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 m 73.83 103.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.574 0.546 . . . . 0.0 110.288 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -126.95 124.73 40.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.058 0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.35 -62.23 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.297 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.27 31.44 11.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.112 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -126.74 132.36 51.12 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.94 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.3 t 73.7 -50.57 0.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.688 0.795 . . . . 0.0 112.815 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.23 83.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.192 0.52 . . . . 0.0 111.776 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.99 77.33 1.05 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.79 -23.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.029 -169.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.99 72.83 0.51 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 64.3 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.903 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.69 117.71 12.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.56 75.04 6.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.208 0.528 . . . . 0.0 109.713 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 18' ' ' VAL . 5.7 p -133.67 86.26 39.81 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 121.851 0.834 . . . . 0.0 111.379 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -90.52 84.04 0.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.708 2.272 . . . . 0.0 112.036 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 t -134.83 59.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 59.7 -163.93 0.22 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.797 -173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? 63.6 67.82 0.62 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.675 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.28 138.3 57.54 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.719 ' HD2' ' H ' ' A' ' 24' ' ' LYS . 2.7 mptp? -68.75 94.06 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -87.5 84.66 7.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.864 -168.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -172.38 -179.88 2.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -76.55 134.09 39.53 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.308 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 m -155.35 177.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.026 -173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -105.53 176.48 5.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.4 m -62.87 154.6 29.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 m -52.67 -35.21 54.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 111.233 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -61.92 -43.86 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.039 178.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -75.38 -40.74 57.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.13 -37.84 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.662 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.9 -40.28 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 32' ' ' THR . 59.9 t -64.52 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.565 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD22 HD23 ' A' ' 55' ' ' LEU . 94.7 mt -60.85 -44.72 96.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 23.8 t-20 -64.14 -36.73 85.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.508 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.3 t70 -55.16 -50.33 69.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -38.87 79.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.7 -20.79 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 27.2 mm-40 -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.883 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 26.8 mmt180 -73.56 -37.77 65.43 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 110.836 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.44 161.91 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.925 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.93 -40.49 95.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 0.0 109.839 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.898 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 61.0 m-85 -143.2 147.62 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.308 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 52' ' ' MET . 1.4 pp -79.93 146.43 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.42 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -79.35 178.79 7.83 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.615 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 3.3 tm? -63.94 -38.69 92.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.073 -177.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.36 -29.51 65.06 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.749 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 57.7 mt-30 -76.01 -45.19 35.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.691 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.55 ' HB3' HD11 ' A' ' 47' ' ' LEU . 21.9 ptp -58.36 -45.26 88.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.8 pt20 -69.82 -35.24 74.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.549 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.618 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.7 tt0 -60.15 -54.03 50.76 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.012 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 37' ' ' LEU . 46.7 tp -60.05 -41.39 92.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.314 -176.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 m -55.71 -53.4 57.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.535 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.96 -35.33 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' A' ' 4' ' ' PRO . 21.1 mt -81.17 -41.86 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.022 -175.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.563 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.1 t30 62.62 32.96 16.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.697 0.76 . . . . 0.0 110.555 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -113.8 162.97 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.778 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 33.2 t -79.95 146.93 31.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.016 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 40.4 t80 -53.32 -37.35 62.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.584 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -66.6 -39.41 88.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.831 0.348 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 79.0 mt-30 -65.31 -44.79 86.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.509 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.97 -41.61 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.928 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 2.9 tmtp? -66.18 -40.66 90.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -69.71 -38.67 77.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.69 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.218 0.533 . . . . 0.0 109.717 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.898 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 2.7 t80 -58.8 -51.68 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.205 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.491 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 4.3 tp-100 -65.59 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.927 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.622 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.7 t-20 -71.0 -51.96 22.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.338 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 60.3 ttt180 -64.59 -47.15 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.497 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 20.9 ptp -78.71 -6.75 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 69.6 mmtt -69.93 -57.9 4.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.768 0.318 . . . . 0.0 111.471 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 m -66.85 -32.73 74.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.466 -170.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -73.98 -12.89 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.802 0.334 . . . . 0.0 111.729 -173.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 75' ' ' MET . 78.9 mtt180 -77.49 -15.23 59.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.601 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.49 137.92 40.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.331 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 60.38 34.69 20.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.197 0.522 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -58.77 125.06 21.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.119 -176.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -107.06 109.42 21.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.282 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.375 -176.669 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.758 0.313 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.799 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -165.92 95.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 68.51 87.36 0.11 Allowed Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.918 0.762 . . . . 0.0 109.558 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.658 ' HB2' HD13 ' A' ' 58' ' ' ILE . 47.9 Cg_endo -66.19 -19.88 56.42 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.657 2.905 . . . . 0.0 114.142 -166.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 t -79.59 -172.95 3.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m 67.67 87.33 0.12 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.593 -176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.02 -175.93 2.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.608 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -153.21 178.71 9.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 59.7 t30 70.43 71.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.819 0.699 . . . . 0.0 110.652 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m 71.29 -60.0 0.53 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.597 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 12' ' ' ALA . 17.0 t 68.44 161.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.182 0.593 . . . . 0.0 109.999 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' N ' HG11 ' A' ' 11' ' ' VAL . . . 67.82 -161.21 0.22 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.793 0.437 . . . . 0.0 110.516 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.65 -163.96 0.17 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.389 0.431 . . . . 0.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 24.4 mmmt -95.57 164.62 12.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.047 0.451 . . . . 0.0 112.17 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -58.12 161.16 4.33 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.762 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.3 103.71 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.0 mptt 69.63 99.99 0.06 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.985 -178.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -106.09 88.52 3.13 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.882 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 73.2 Cg_endo -88.99 124.3 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.825 2.35 . . . . 0.0 113.686 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG12 ' HG3' ' A' ' 22' ' ' LYS . 94.9 t 65.08 101.39 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.509 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -85.82 114.34 22.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.325 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' HG3' HG12 ' A' ' 20' ' ' VAL . 28.9 mtpp -129.24 101.53 6.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -95.08 84.44 4.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.387 0.613 . . . . 0.0 111.869 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -90.19 158.55 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.382 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -85.95 72.75 10.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.685 0.755 . . . . 0.0 110.167 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -124.13 170.38 10.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.758 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -88.09 136.76 32.82 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.003 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.18 -175.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.464 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.73 149.57 24.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -76.9 154.82 33.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.022 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -61.13 -32.21 71.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.797 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.4 m -60.71 -49.55 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.751 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.33 -49.54 71.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.13 -44.67 79.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.746 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.0 t -60.32 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.606 0.241 . . . . 0.0 111.267 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.54 -39.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.959 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.15 -41.8 99.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.344 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.2 -48.52 75.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.961 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.19 -53.11 61.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -63.42 -42.96 98.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.512 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.453 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 10.7 m-85 -73.92 -20.46 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -88.33 -23.49 23.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.74 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HG3' ' HG3' ' A' ' 44' ' ' GLN . 12.6 ptm180 -98.8 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 111.169 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 93.2 mt-30 -134.67 158.32 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -70.25 -52.59 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.484 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -149.92 165.25 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.61 149.11 22.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.607 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 p -87.76 177.35 7.04 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.54 -32.53 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -74.74 -39.36 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.218 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -75.29 -32.85 61.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.001 -175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.442 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 ptp -67.44 -39.19 85.4 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.533 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 3.5 pt20 -74.31 -33.49 63.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.475 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' A' ' 4' ' ' PRO . 43.3 tt0 -66.78 -36.94 83.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.503 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.02 -45.01 71.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.976 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 11.9 p -59.94 -30.03 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.759 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -67.33 -33.77 75.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.764 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.658 HD13 ' HB2' ' A' ' 4' ' ' PRO . 18.3 mt -71.15 -46.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.336 0.588 . . . . 0.0 110.606 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.27 1.6 44.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.758 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 59.44 40.41 20.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.871 0.843 . . . . 0.0 109.764 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.09 -177.39 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -93.49 146.73 23.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.846 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 14.4 t80 -56.74 -38.27 72.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.027 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -71.79 -32.07 67.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.3 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -67.67 -46.32 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 86.7 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.472 0.653 . . . . 0.0 110.552 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 46.1 tttp -61.77 -43.41 98.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.222 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -65.02 -40.05 94.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.453 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 2.5 t90 -65.83 -39.46 90.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 109.663 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.51 -44.92 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.291 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 50.2 mt-30 -67.69 -31.01 70.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.424 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.5 m-80 -73.82 -40.62 63.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.83 -35.07 77.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.294 0.569 . . . . 0.0 109.879 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -40.86 69.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.301 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.479 ' HG3' ' HA ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.19 -22.48 60.46 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.234 -0.587 . . . . 0.0 111.408 -176.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.1 mmtp -61.39 -43.35 99.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 111.052 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -81.67 -20.17 40.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.924 -174.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.77 -41.72 15.88 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.203 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.613 ' HB3' ' HD1' ' A' ' 80' ' ' TRP . 7.6 mmm180 -129.78 -77.19 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 0.0 111.319 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.613 ' HD1' ' HB3' ' A' ' 79' ' ' ARG . 1.4 p-90 175.17 -162.97 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -173.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -61.53 92.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 111.512 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 72.99 174.16 0.29 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.627 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.489 ' CG ' ' H ' ' A' ' 84' ' ' ASN . 66.6 t30 -136.49 -166.54 1.91 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -173.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.489 ' H ' ' CG ' ' A' ' 83' ' ' ASN . 50.0 t-20 . . . . . 0 C--O 1.247 0.96 0 C-N-CA 123.477 0.711 . . . . 0.0 110.5 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.693 0.282 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.645 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 73.6 mmtt -75.26 159.72 31.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -101.0 88.61 1.07 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.645 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 19.4 Cg_exo -64.28 91.36 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.559 2.173 . . . . 0.0 112.436 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.668 ' HA ' HG21 ' A' ' 58' ' ' ILE . 24.4 m -89.82 115.27 27.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.331 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -84.89 83.43 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.927 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.98 -173.34 0.17 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.731 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -134.29 92.51 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -126.07 137.54 53.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.54 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -78.76 123.65 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.242 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t 70.67 106.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 O-C-N 123.924 0.765 . . . . 0.0 111.512 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.31 98.02 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.244 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -106.88 95.22 5.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.175 -175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 14' ' ' LYS . 1.4 mmmp? 60.93 -168.17 0.18 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.307 174.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 2.0 mp0 -62.61 -46.67 87.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.49 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 72.02 1.63 3.99 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 30.0 mmtp 65.17 -173.56 0.18 Allowed 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.594 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.893 HG11 ' HD3' ' A' ' 21' ' ' LYS . 12.8 t -114.99 87.72 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.977 -172.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 8.4 Cg_exo -72.32 132.67 19.66 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.413 2.742 . . . . 0.0 113.423 -175.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.603 ' O ' ' HD2' ' A' ' 21' ' ' LYS . 49.1 t 59.58 70.34 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.556 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.893 ' HD3' HG11 ' A' ' 18' ' ' VAL . 12.6 mptt -130.9 -171.16 2.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.457 172.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -70.82 -78.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -158.92 104.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -138.65 166.91 23.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.92 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 p -74.57 -176.33 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -169.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.645 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -71.92 -37.22 70.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.363 -174.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.2 p -129.37 137.24 50.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.487 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -155.82 171.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.667 -1.151 . . . . 0.0 108.901 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -101.22 144.93 29.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -69.08 154.57 41.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.371 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -60.53 -38.1 83.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.969 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' VAL . 16.2 p -68.0 -44.85 75.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.793 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -49.15 78.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.801 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.99 -41.03 86.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -61.29 -51.96 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.592 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 92.2 t -58.76 -46.72 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.495 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.77 ' HA ' ' HE ' ' A' ' 40' ' ' ARG . 98.9 mt -56.55 -53.66 54.96 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.46 -32.82 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 -173.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.41 -57.6 12.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.514 0.197 . . . . 0.0 111.452 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.952 HH22 ' HG ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.33 -23.89 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.078 -177.806 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 3.9 m-85 -68.85 -20.55 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.374 172.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.31 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.319 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 21.6 mmt180 -74.04 -23.51 59.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.884 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -127.39 -178.06 4.31 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -83.0 -52.83 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -152.38 -174.74 5.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 70' ' ' PHE . 96.5 mt -74.54 123.92 25.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.232 175.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -75.11 172.06 13.03 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 49' ' ' LEU . 1.8 tm? -65.15 -41.36 94.8 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -71.46 -39.97 70.61 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.274 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -59.29 -45.14 92.07 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.81 -43.06 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.47 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.56 -35.68 65.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.656 ' O ' HG13 ' A' ' 58' ' ' ILE . 2.1 tp10 -64.5 -54.09 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.856 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.952 ' HG ' HH22 ' A' ' 40' ' ' ARG . 2.6 tm? -59.32 -42.74 92.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.975 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.1 t -53.19 -52.91 57.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.468 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.15 -34.91 79.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.668 HG21 ' HA ' ' A' ' 5' ' ' THR . 13.6 mt -80.2 -36.94 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 tp -87.05 0.27 55.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.479 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 65.86 32.11 8.93 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.122 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.94 -177.18 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -99.14 144.27 28.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -61.73 -30.66 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.923 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.73 -44.46 90.09 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.284 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.5 -46.39 79.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -42.54 90.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.04 0.448 . . . . 0.0 110.897 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.39 -44.41 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.501 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.7 m -65.53 -37.73 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.24 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.449 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 76.1 t90 -63.68 -41.34 98.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.585 ' HB2' HD13 ' A' ' 47' ' ' LEU . 48.9 t80 -58.87 -43.32 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.814 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -64.87 -42.32 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.681 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 35.9 t-20 -65.58 -44.95 85.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.085 -176.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 73' ' ' GLN . 6.9 tt0 -56.86 -43.18 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.501 177.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -71.59 -39.09 70.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.681 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 19.5 ptp -72.98 -13.67 61.28 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.5 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 73.2 mmtt -49.93 -47.41 52.43 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -61.75 -31.52 71.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.42 -28.86 13.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.523 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -102.9 -8.4 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.745 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 60.7 t90 -141.57 120.04 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -131.81 4.8 4.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.572 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 58.6 78.66 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.231 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -102.76 74.04 1.32 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.391 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.245 0.837 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.379 -177.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 62.74 -162.96 0.27 Allowed 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.059 0.224 . . . . 0.0 110.812 -175.007 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.428 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 3.7 pt20 43.84 70.46 1.87 Allowed Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 124.19 0.996 . . . . 0.0 113.178 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.7 -28.1 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.205 1.936 . . . . 0.0 111.578 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -114.47 -21.94 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.122 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 33.6 t -83.31 96.34 8.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.88 3.29 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 58.59 83.94 0.11 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.656 0.741 . . . . 0.0 109.798 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.603 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 6.1 p-10 -108.54 128.59 54.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.466 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.477 ' C ' ' H ' ' A' ' 12' ' ' ALA . 8.1 t -148.74 169.44 20.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t 73.64 -16.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.586 0.708 . . . . 0.0 111.062 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 10' ' ' SER . . . -105.37 35.27 2.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.542 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 37.2 ttpt -56.04 -39.64 72.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.816 -178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 13' ' ' LYS . 36.0 mtmt -157.03 -177.71 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.674 175.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.01 111.02 6.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 17' ' ' LYS . 5.3 t70 61.11 -154.7 0.36 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.925 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' H ' ' CG ' ' A' ' 16' ' ' ASP . 7.3 tmtm? -84.85 23.49 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.498 0.666 . . . . 0.0 109.817 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 16' ' ' ASP . 43.2 t 49.58 84.71 0.2 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.729 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.65 111.58 3.33 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.443 2.096 . . . . 0.0 111.871 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -109.46 74.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.338 0.59 . . . . 0.0 110.556 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -111.91 -85.64 0.56 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.592 174.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.95 97.17 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -119.23 96.54 5.27 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.528 0.68 . . . . 0.0 111.323 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -124.8 71.31 1.16 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.036 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 p -79.92 126.31 30.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.812 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 26' ' ' ARG . 22.3 ttt180 -60.01 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -139.54 139.24 36.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 0.0 111.269 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -151.36 -168.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.924 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' HD2' ' NE2' ' A' ' 33' ' ' GLN . 96.9 m-85 -86.75 156.39 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.9 m -69.84 160.59 31.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.482 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.8 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.27 0.356 . . . . 0.0 110.943 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -42.24 92.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.374 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' HG2' HD22 ' A' ' 59' ' ' LEU . 19.5 mt-30 -65.32 -50.46 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.622 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.61 -43.94 93.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.349 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.22 -52.01 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.174 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.11 -47.2 83.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.648 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.68 -40.38 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.655 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.656 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -60.55 -48.1 83.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.475 177.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -66.74 -34.67 78.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.774 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -69.74 -22.0 63.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.58 -28.6 28.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.112 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 18.5 mmt180 -79.43 -53.79 6.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.149 0.5 . . . . 0.0 110.192 177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -112.83 158.85 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.637 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -48.23 80.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.282 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.4 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 68.7 m-85 -149.57 176.09 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.667 0.27 . . . . 0.0 110.419 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.98 137.39 32.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.291 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.2 m -79.38 174.46 11.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.797 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.98 -41.84 97.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.45 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -75.07 -26.95 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.122 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -76.23 -37.19 58.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.113 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.12 -39.76 90.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -73.49 -31.88 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.115 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.1 tp10 -62.06 -53.84 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.287 175.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -35.14 74.44 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -53.68 -48.03 69.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.137 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.39 -34.85 75.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.03 0.443 . . . . 0.0 110.531 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 27.7 mt -72.99 -43.65 58.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.153 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD22 ' HG2' ' A' ' 33' ' ' GLN . 79.0 mt -90.11 6.62 41.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.569 -174.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.96 29.48 14.41 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.796 0.807 . . . . 0.0 110.684 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.66 -178.64 3.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.791 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 t -104.66 150.84 24.36 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.97 -35.31 69.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -61.4 -40.46 94.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.322 0.582 . . . . 0.0 109.74 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.19 -45.51 63.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.16 -40.67 75.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.346 -174.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -70.4 -42.96 70.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.3 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 110.777 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -62.2 -49.31 76.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.999 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.4 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 54.8 t80 -58.68 -40.56 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.153 178.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.33 -45.49 94.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.871 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.81 -42.5 66.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.025 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -56.51 -49.71 73.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.098 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.51 -38.72 87.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 61.6 mtm -63.51 -47.05 83.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.463 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 39.9 mtmt -75.13 -28.81 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.455 -176.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -77.6 -28.54 51.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.324 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -91.07 -57.36 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.889 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -82.28 -76.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 0.0 111.408 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.576 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 16.3 p90 -172.19 171.4 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.082 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -71.33 93.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.194 0.521 . . . . 0.0 111.511 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -83.1 78.7 9.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.508 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -94.23 175.61 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.87 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.766 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 62.49 -168.82 0.19 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.92 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 29.3 pt20 -90.98 141.64 26.73 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.052 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 3' ' ' GLN . 24.4 Cg_endo -97.99 80.54 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 123.795 2.997 . . . . 0.0 111.981 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -111.99 123.55 50.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -71.36 127.22 31.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.799 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.61 -17.37 16.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -79.26 95.16 5.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.255 0.55 . . . . 0.0 111.885 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -89.84 12.24 17.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.604 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.27 -11.09 55.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.66 -178.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.2 98.83 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.918 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.49 93.58 9.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 46.15 -168.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.486 1.116 . . . . 0.0 111.978 -171.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.811 ' HG2' ' H ' ' A' ' 15' ' ' GLU . 53.6 tttm 62.94 -155.2 0.34 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.811 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -127.17 -58.52 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.996 0.427 . . . . 0.0 110.745 178.281 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.92 151.93 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.274 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -87.66 24.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.297 0.57 . . . . 0.0 111.516 -172.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.37 86.67 56.77 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.754 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.677 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 40.2 Cg_endo -95.8 84.71 0.1 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.303 2.669 . . . . 0.0 111.892 175.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 44.1 t -123.96 77.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 111.334 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 23.9 ttmm 175.71 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.948 172.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 68.8 mttm -154.88 -86.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 173.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -151.51 -171.52 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.299 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -100.9 137.32 39.44 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 t -93.28 13.72 20.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.675 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -132.36 163.4 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -70.01 142.06 52.83 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.32 0.388 . . . . 0.0 110.543 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.18 -174.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.183 0.516 . . . . 0.0 111.505 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -86.17 173.46 9.8 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.076 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.6 t -72.62 152.42 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -59.85 -38.87 83.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.634 0.254 . . . . 0.0 110.387 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 36' ' ' VAL . 4.9 m -58.16 -44.86 88.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HG2' HD23 ' A' ' 59' ' ' LEU . 24.5 mt-30 -68.24 -45.91 71.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.156 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 15' ' ' GLU . 94.4 mt -56.93 -46.06 82.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.754 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.28 -47.02 87.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 32' ' ' THR . 98.3 t -64.26 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.91 -46.39 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.74 -36.89 78.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.521 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.4 t70 -65.03 -44.68 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.182 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.459 ' HG2' HD22 ' A' ' 55' ' ' LEU . 2.4 tpt180 -58.62 -47.61 83.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.733 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 28.9 m-85 -67.59 -22.87 65.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.115 0.483 . . . . 0.0 111.39 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.43 -23.71 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 19.4 mmt180 -90.97 -43.46 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 64.3 tt0 -136.04 136.51 40.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -62.72 -26.95 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -171.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -135.23 164.01 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.046 0.45 . . . . 0.0 111.2 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.78 137.93 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.71 174.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -83.76 -176.29 6.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.02 0.438 . . . . 0.0 110.231 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.488 HD11 ' HH ' ' A' ' 63' ' ' TYR . 55.8 tp -64.57 -39.8 94.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.535 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -76.7 -29.2 56.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -76.94 -30.06 55.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.59 -36.78 70.96 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.858 -0.526 . . . . 0.0 110.635 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.64 -31.62 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 173.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 58' ' ' ILE . 26.7 tt0 -58.95 -55.07 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.618 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 40' ' ' ARG . 1.7 mm? -64.32 -37.44 87.49 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.546 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 2.3 p -61.29 -45.77 93.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.019 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.59 -32.21 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.68 0.276 . . . . 0.0 111.503 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.635 HG13 ' O ' ' A' ' 54' ' ' GLU . 24.3 mt -70.56 -53.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.977 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' ' 33' ' ' GLN . 47.5 mt -83.5 8.47 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.461 -171.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t30 63.71 36.68 10.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.793 0.806 . . . . 0.0 110.25 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.8 -177.6 3.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.381 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.489 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 40.4 t -107.11 148.66 28.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.488 ' HH ' HD11 ' A' ' 49' ' ' LEU . 26.0 t80 -54.8 -42.25 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.034 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.41 -40.3 96.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.489 ' NE2' ' HB3' ' A' ' 62' ' ' SER . 2.5 mp0 -73.58 -34.19 64.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.336 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 74.0 t -76.75 -38.62 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.043 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -63.34 -42.36 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.191 0.52 . . . . 0.0 110.069 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.3 m -70.04 -38.43 75.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.389 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -61.46 -45.47 94.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 85.9 t80 -57.55 -46.53 83.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.665 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -68.71 -36.29 78.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.75 -47.43 78.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.28 0.562 . . . . 0.0 109.914 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -63.08 -42.65 99.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.108 0.48 . . . . 0.0 109.974 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -66.85 -44.39 81.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.128 -177.123 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.2 ptp -67.27 -32.85 74.14 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.208 -176.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 35.5 mtmm -70.62 -20.21 62.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.58 -49.66 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' HZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -96.93 -23.25 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.258 -177.573 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -134.77 37.31 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.444 ' CE3' ' HB3' ' A' ' 76' ' ' LYS . 27.0 t-105 -47.2 122.73 4.76 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.868 0.366 . . . . 0.0 110.963 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -152.43 135.45 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.851 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.517 ' HE2' ' OD1' ' A' ' 84' ' ' ASN . 47.1 mtpt 65.14 -173.05 0.18 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.698 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -160.32 -68.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.71 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.517 ' OD1' ' HE2' ' A' ' 82' ' ' LYS . 15.9 m120 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.856 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' A' ' 50' ' ' GLN . 32.2 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.08 -45.54 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 59.07 80.0 0.29 Allowed Pre-proline 0 CA--C 1.536 0.415 0 O-C-N 123.797 0.686 . . . . 0.0 111.232 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.38 -55.46 2.8 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.054 2.503 . . . . 0.0 113.019 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.405 ' O ' HG21 ' A' ' 5' ' ' THR . 9.7 m 66.85 8.62 6.16 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.433 0.635 . . . . 0.0 111.573 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -71.98 -24.21 61.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.695 -176.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HA ' HG13 ' A' ' 11' ' ' VAL . . . -89.54 76.85 7.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.015 0.436 . . . . 0.0 110.457 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -85.2 -49.42 8.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 11' ' ' VAL . 29.6 p-10 -93.31 23.58 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.4 m 70.34 -4.78 1.5 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.955 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 HG13 ' HA ' ' A' ' 7' ' ' ALA . 19.6 m 44.96 -165.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.791 1.236 . . . . 0.0 113.664 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.462 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . . . -106.89 133.19 51.92 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.001 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -95.07 26.71 3.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.701 0.762 . . . . 0.0 111.199 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HE2' ' HB2' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.55 35.19 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 168.181 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -58.92 -64.13 1.05 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.678 -1.601 . . . . 0.0 113.423 -171.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 24.8 t70 -110.68 -12.43 14.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HA ' ' OG ' ' A' ' 31' ' ' SER . 0.4 OUTLIER 45.11 101.87 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.004 -1.453 . . . . 0.0 114.085 177.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.5 t -118.5 78.72 15.03 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.104 170.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -98.94 153.03 0.65 Allowed 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.257 2.638 . . . . 0.0 113.918 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.9 t 43.79 84.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.01 -0.995 . . . . 0.0 113.11 170.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.86 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -107.51 -56.65 2.19 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 64.52 -11.08 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' A' ' 21' ' ' LYS . 64.7 tt0 -60.42 -36.64 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.577 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -80.39 93.77 6.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.2 t -70.34 78.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.063 0.935 . . . . 0.0 111.728 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 25' ' ' THR . 15.9 mmt180 -163.85 -164.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.228 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -63.31 147.22 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.93 165.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.275 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -115.67 172.0 7.4 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.067 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -81.65 167.58 19.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.623 ' OG ' ' HA ' ' A' ' 17' ' ' LYS . 46.7 t -55.46 -56.04 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.058 0.224 . . . . 0.0 111.321 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.523 ' O ' HG21 ' A' ' 36' ' ' VAL . 23.3 m -55.97 -40.01 72.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.285 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.557 ' HG2' HD22 ' A' ' 59' ' ' LEU . 57.4 mt-30 -59.5 -48.97 79.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.605 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -40.46 92.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 78.6 m -60.74 -43.13 98.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.96 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.598 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 88.4 t -66.14 -41.06 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.833 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 96.0 mt -57.04 -46.42 82.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.274 0.559 . . . . 0.0 110.076 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.591 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 46.2 t30 -64.29 -43.48 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.114 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 7.2 t70 -55.24 -47.23 75.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.598 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -53.18 -48.43 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 178.079 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 26.0 m-85 -73.85 -22.13 59.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 26.9 mm-40 -73.06 -46.88 49.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.997 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.1 mmt180 -72.08 -37.31 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 0.0 110.299 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -140.9 135.73 31.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HE2' ' CE2' ' A' ' 46' ' ' TYR . 20.9 ptmt -64.55 -22.59 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.541 ' CE2' ' HE2' ' A' ' 45' ' ' LYS . 44.9 m-85 -137.91 168.24 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.644 0.259 . . . . 0.0 110.349 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' A' ' 70' ' ' PHE . 92.6 mt -90.05 127.79 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -86.24 177.71 7.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.908 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.94 -35.9 81.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.586 0.708 . . . . 0.0 109.437 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 22.4 mp0 -73.73 -40.37 63.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.734 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -66.57 -42.06 87.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.422 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.0 ptp -67.6 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.376 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.92 -34.28 68.96 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.344 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.673 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.5 -50.15 70.76 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.33 -50.94 68.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.676 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.494 ' HB3' HG22 ' A' ' 66' ' ' VAL . 16.3 p -59.78 -37.62 79.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.858 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -73.39 -32.73 64.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 0.0 110.983 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.673 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.7 mt -72.52 -44.33 61.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD22 ' HG2' ' A' ' 33' ' ' GLN . 38.2 mt -92.15 0.47 57.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.333 -174.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.66 44.54 20.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.002 0.906 . . . . 0.0 110.008 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.3 tp -109.15 168.08 9.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.452 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.451 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 26.4 t -76.14 137.11 39.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.32 -34.99 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.559 0.695 . . . . 0.0 109.627 174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -70.59 -38.17 73.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.005 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 28.9 mm-40 -68.16 -42.2 80.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 56' ' ' SER . 98.2 t -64.0 -45.94 95.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.409 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 7.7 tmtt? -61.61 -41.44 97.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.194 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.422 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 91.9 m -72.37 -34.67 68.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.606 -177.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -56.0 27.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.416 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' A' ' 47' ' ' LEU . 3.4 p90 -70.82 -32.44 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.665 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 75' ' ' MET . 85.4 mt-30 -65.27 -50.13 66.92 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -65.9 -32.48 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -62.11 -53.36 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.126 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -72.53 -15.77 61.77 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.402 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 71' ' ' GLN . 72.1 mmm -63.01 -49.87 72.93 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -68.26 -36.47 79.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -68.97 -25.68 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.283 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.501 ' HD3' ' C ' ' A' ' 78' ' ' LYS . 4.0 tmtm? -95.32 -41.54 8.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.748 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.509 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -67.11 -39.77 86.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.226 -176.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -87.55 96.36 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -117.58 88.75 2.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.119 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt 67.45 139.51 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.775 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.47 156.15 39.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.057 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.829 -176.567 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 121.149 0.5 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -150.77 -71.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.397 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -170.31 84.62 0.56 Allowed Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.575 ' HG2' HD12 ' A' ' 58' ' ' ILE . 36.4 Cg_endo -66.67 151.59 82.36 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.361 2.041 . . . . 0.0 111.837 -178.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m 74.24 85.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.315 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -106.94 -37.09 6.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.816 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.06 -84.06 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 53.8 32.08 14.26 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.709 0.631 . . . . 0.0 111.804 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -81.42 49.97 1.38 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.91 0.386 . . . . 0.0 111.41 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -87.61 78.01 8.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t 71.13 127.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.015 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.85 91.62 4.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -91.31 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -133.36 173.64 11.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.216 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 1.5 mp0 -52.94 -62.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.714 0.634 . . . . 0.0 111.371 -176.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.476 ' OD1' ' HD2' ' A' ' 17' ' ' LYS . 38.6 t0 -150.94 169.64 21.25 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.636 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.59 179.71 4.16 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.541 -179.042 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t 65.23 85.73 0.15 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 121.374 0.607 . . . . 0.0 109.773 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.75 137.24 78.92 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.117 2.545 . . . . 0.0 112.63 -175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t 55.34 70.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 111.042 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -128.42 28.61 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.995 0.902 . . . . 0.0 108.894 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.839 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -141.45 130.66 23.48 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.003 -174.245 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -55.71 123.82 15.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.128 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 16.3 mtpt -73.7 149.41 41.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -168.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 83' ' ' ASN . 24.8 m -102.94 145.8 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 162.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -64.55 -12.59 46.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -125.87 134.71 51.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -149.82 161.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -109.28 174.25 5.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.844 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t -83.75 154.73 23.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.4 m -57.02 -31.75 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.295 0.372 . . . . 0.0 111.562 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m -59.95 -43.52 94.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.033 0.444 . . . . 0.0 110.648 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.48 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.5 mt-30 -73.68 -40.57 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.64 -46.56 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.113 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.58 -40.31 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.84 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.64 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 65.6 t -60.18 -49.0 85.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.581 0.229 . . . . 0.0 110.542 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.27 -47.12 87.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.793 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 51.5 t30 -65.52 -38.92 91.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.1 t70 -61.55 -45.37 94.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.105 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 15.1 mmt180 -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.76 -27.56 66.62 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.021 0.438 . . . . 0.0 111.381 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 15.1 mm100 -82.54 -31.95 28.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.184 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 27.7 mmt180 -74.86 -49.96 18.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.401 0.619 . . . . 0.0 109.489 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -124.61 134.76 52.82 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.96 -42.95 99.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -138.96 149.85 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.06 142.18 27.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.9 t -83.51 179.58 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.982 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD13 ' HH ' ' A' ' 63' ' ' TYR . 19.9 tp -65.65 -34.86 79.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.645 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -75.97 -32.13 59.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.167 0.508 . . . . 0.0 110.154 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -75.25 -32.54 61.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.862 -174.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptp -67.09 -40.55 86.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.006 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 56' ' ' SER . 3.6 pt20 -74.17 -32.02 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.054 175.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 58' ' ' ILE . 34.7 tt0 -58.95 -48.77 80.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.043 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -37.14 81.07 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 37.0 t -51.95 -41.87 62.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.341 176.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.98 -33.22 73.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.575 HD12 ' HG2' ' A' ' 4' ' ' PRO . 25.3 mt -69.32 -38.78 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.316 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.48 HD22 ' HG2' ' A' ' 33' ' ' GLN . 69.9 mt -97.3 5.64 49.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.196 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 54.23 45.86 26.45 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.921 0.867 . . . . 0.0 110.129 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.55 -176.88 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.763 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.523 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 24.2 t -94.79 140.7 29.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.55 ' HH ' HD13 ' A' ' 49' ' ' LEU . 13.2 t80 -58.17 -35.76 72.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 175.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -64.82 -36.27 83.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.6 mm-40 -70.95 -46.34 62.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.489 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.55 -40.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.083 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 14.2 tmtt? -64.41 -44.68 90.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.162 0.506 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m -74.89 -37.93 61.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.86 -45.5 82.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.536 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 29.1 mm-40 -63.63 -46.4 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.493 . . . . 0.0 110.879 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.78 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 28.2 t-20 -71.93 -30.69 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.238 -175.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 42.8 tp60 -68.81 -38.98 80.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -72.92 -39.24 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.211 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.78 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 18.2 ptp -68.19 -28.2 67.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.701 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HD3' ' OE1' ' A' ' 81' ' ' GLN . 9.0 ptpp? -77.62 -19.23 55.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.687 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -67.29 -8.39 31.74 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.29 -65.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.81 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -144.52 -46.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.735 0.642 . . . . 0.0 112.735 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.45 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 41.7 p-90 -108.75 174.42 5.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.576 0.703 . . . . 0.0 112.703 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.507 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 19.8 mm-40 -127.42 129.8 48.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.72 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 58.5 tttm -91.67 88.34 6.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.998 0.428 . . . . 0.0 110.002 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.51 ' HA ' HG23 ' A' ' 25' ' ' THR . 58.3 t30 -89.24 -11.25 44.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.611 0.72 . . . . 0.0 109.288 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.444 178.088 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.49 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 12.6 mmmm 67.61 -156.83 0.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.65 0.594 . . . . 0.0 111.221 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 53.7 mt-30 -109.57 89.43 7.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.676 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 33.6 Cg_exo -59.44 89.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.166 2.577 . . . . 0.0 113.505 -173.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -79.24 -21.33 46.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.492 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -88.66 100.15 12.89 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . -153.13 -43.7 0.1 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.993 0.901 . . . . 0.0 108.809 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -84.41 85.57 7.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.565 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.09 94.67 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.898 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 p -88.64 30.02 0.95 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.302 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 m -119.82 144.07 29.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.427 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.25 -170.36 0.19 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.477 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -117.42 -41.84 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HZ2' ' HB3' ' A' ' 14' ' ' LYS . 8.9 mtpm? -127.11 -178.97 4.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.999 170.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.778 ' HG2' ' HB2' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -67.9 -23.05 65.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 171.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 154.55 20.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.795 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -88.84 39.43 0.93 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.531 0.682 . . . . 0.0 110.052 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 t -120.91 86.01 40.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.73 88.56 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.002 2.468 . . . . 0.0 111.813 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -135.17 85.35 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.721 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -149.66 147.01 27.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.638 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -150.07 41.9 0.84 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.861 0.839 . . . . 0.0 108.775 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.8 156.38 17.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.118 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' C ' ' HG1' ' A' ' 25' ' ' THR . 23.3 ttmm -116.89 -53.35 2.49 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.154 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' HG1' ' C ' ' A' ' 24' ' ' LYS . 44.6 p 49.32 -163.08 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.747 0.654 . . . . 0.0 111.589 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -108.93 -27.25 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.413 . . . . 0.0 110.053 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -133.41 137.7 45.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.614 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.35 155.24 27.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.992 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -86.05 129.54 34.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.042 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -83.08 155.67 23.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.87 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -53.9 -42.01 68.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.389 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.516 ' O ' HG22 ' A' ' 36' ' ' VAL . 18.5 p -62.19 -45.61 92.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.98 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 35.0 tt0 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.949 -175.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HG2' ' A' ' 14' ' ' LYS . 94.8 mt -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.755 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -64.05 -40.2 95.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.923 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' THR . 92.8 t -66.89 -38.69 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 111.022 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 97.9 mt -63.92 -43.46 95.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 110.308 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.778 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 24.1 t-20 -67.52 -36.61 81.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 176.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -53.44 -43.88 68.4 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.627 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.406 ' HE ' HD21 ' A' ' 55' ' ' LEU . 6.8 mpt_? -76.25 -52.03 10.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.564 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.85 -20.76 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.59 -42.13 29.94 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.528 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -100.94 -8.66 22.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.815 0.34 . . . . 0.0 111.553 -174.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.745 ' HG2' HE22 ' A' ' 51' ' ' GLN . 7.0 tp60 -134.48 136.57 43.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.26 -38.66 91.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.761 0.315 . . . . 0.0 111.231 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -151.15 165.18 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.64 121.93 25.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.38 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -75.98 173.95 10.59 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.625 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.4 mt -66.22 -39.45 89.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.23 0.538 . . . . 0.0 109.954 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -67.5 -34.5 77.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.02 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.745 HE22 ' HG2' ' A' ' 44' ' ' GLN . 43.4 mt-30 -75.16 -44.45 46.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.077 -175.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.424 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.6 ptp -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.615 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 pt20 -74.23 -34.95 63.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.222 0.534 . . . . 0.0 110.277 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.564 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.07 -50.98 68.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.461 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 ' HE ' ' A' ' 40' ' ' ARG . 3.5 mm? -58.58 -42.07 87.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.673 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 p -62.83 -38.77 92.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.122 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.57 -37.96 83.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.762 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.6 mt -75.31 -46.14 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.73 5.77 12.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.734 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.452 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER 60.04 34.27 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.189 0.518 . . . . 0.0 110.507 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.99 177.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.879 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.693 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 25.3 t -93.6 145.48 24.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 75.8 t80 -57.2 -36.13 70.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.095 176.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.19 -38.87 91.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.68 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.693 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.4 mm-40 -68.12 -44.98 74.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.074 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.49 -42.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.911 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 8.1 tmtt? -61.94 -42.59 99.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.432 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.7 m -71.5 -40.79 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -60.55 -41.94 95.53 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.17 -48.09 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.54 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.512 . . . . 0.0 111.142 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -67.41 -45.07 77.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.827 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -64.52 -37.5 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.319 0.581 . . . . 0.0 109.821 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -70.9 -47.97 56.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.474 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.632 -173.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -63.15 -21.45 66.21 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.7 p -66.94 -36.55 82.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.998 0.428 . . . . 0.0 110.756 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -95.5 -34.06 12.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.826 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -44.39 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -94.64 128.04 41.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.011 0.434 . . . . 0.0 110.494 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -88.06 6.53 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -93.19 84.25 4.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.333 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.95 -32.34 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.051 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--O 1.252 1.205 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.345 177.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 54.8 tttm 68.35 14.25 9.14 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 111.015 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.27 156.34 0.12 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.697 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.645 ' HD3' ' HG2' ' A' ' 51' ' ' GLN . 58.4 Cg_endo -71.03 -4.87 15.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.456 2.104 . . . . 0.0 113.124 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -86.03 123.66 31.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.105 0.478 . . . . 0.0 110.625 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m 57.18 31.96 20.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.439 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.8 11.49 9.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.369 0.604 . . . . 0.0 109.712 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.672 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 9.4 pt-20 -68.39 124.58 23.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.706 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -145.62 5.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.647 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.7 m -155.48 115.87 3.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.821 0.343 . . . . 0.0 111.638 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -79.91 88.29 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 109.85 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.81 -15.4 60.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.255 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttm 54.1 72.49 0.45 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.874 0.734 . . . . 0.0 110.553 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.646 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 45.7 mmtm -130.05 141.86 50.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.258 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 35.0 mm-40 68.85 18.8 8.5 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.626 0.579 . . . . 0.0 110.951 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -76.44 -4.0 40.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.85 -178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm 69.49 94.56 0.07 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.741 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.87 72.86 75.77 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -97.74 102.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.304 2.669 . . . . 0.0 112.864 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.3 t -127.64 74.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.269 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -152.42 -87.53 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.506 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -162.6 145.05 10.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 pm0 -78.89 37.47 0.3 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -78.98 107.87 12.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.177 0.513 . . . . 0.0 110.74 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -162.27 166.59 25.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.593 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -115.24 -55.5 2.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.736 0.303 . . . . 0.0 110.302 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.79 161.9 21.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.9 m -144.95 165.53 12.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.5 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -110.48 158.38 18.57 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -87.49 155.66 19.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 p -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.412 0.445 . . . . 0.0 110.749 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.8 p -59.08 -48.07 82.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -57.53 -48.41 79.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.549 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.62 -29.94 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.623 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.81 -46.51 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.05 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 32' ' ' THR . 57.4 t -64.74 -41.01 91.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.004 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.63 -43.47 96.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.014 0.435 . . . . 0.0 110.225 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.502 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.39 -45.26 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.227 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' HD21 ' A' ' 47' ' ' LEU . 9.0 mpt_? -77.16 -51.45 10.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.532 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 28.3 m-85 -72.95 -20.57 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -170.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.571 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 13.8 mt-30 -94.03 -8.45 39.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.985 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.672 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 50.6 mtm180 -109.86 -25.12 10.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.04 0.448 . . . . 0.0 111.188 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.784 ' HA ' HE21 ' A' ' 44' ' ' GLN . 0.0 OUTLIER -112.55 169.97 8.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.376 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -80.97 -46.61 14.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 0.0 109.85 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.683 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 49.9 m-85 -153.84 179.74 8.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 40' ' ' ARG . 63.1 mt -104.19 135.89 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.151 0.501 . . . . 0.0 110.813 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -86.68 -177.42 6.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.798 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.03 -36.29 79.14 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.782 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -73.88 -36.29 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.323 0.583 . . . . 0.0 110.331 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.645 ' HG2' ' HD3' ' A' ' 4' ' ' PRO . 91.9 mt-30 -76.38 -31.23 57.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.913 -175.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 -35.28 65.46 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.313 -0.242 . . . . 0.0 111.139 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.98 -31.81 63.15 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 110.349 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' O ' HG13 ' A' ' 58' ' ' ILE . 23.4 tt0 -62.52 -49.21 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -51.94 -51.44 57.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.966 -178.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -60.34 -37.75 81.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -66.48 -36.87 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.433 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.2 mt -72.84 -43.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.077 0.465 . . . . 0.0 111.437 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.63 7.99 43.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.897 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.66 52.75 9.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.896 0.855 . . . . 0.0 109.881 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.0 175.36 7.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.639 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.49 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 46.8 t -93.9 146.42 23.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.228 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -56.15 -40.03 73.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.586 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -36.85 84.01 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.329 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.49 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 98.6 mt-30 -65.2 -43.45 91.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.181 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' A' ' 55' ' ' LEU . 87.9 t -71.03 -41.94 76.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.691 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -63.37 -37.83 88.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.429 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.0 m -66.5 -43.09 86.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -63.95 -44.06 93.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.683 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 44.7 t80 -56.1 -49.64 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.033 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.762 ' HG3' ' HE2' ' A' ' 75' ' ' MET . 22.8 tp60 -63.04 -39.76 95.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -66.87 -46.98 73.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.37 -41.57 97.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -68.09 -37.14 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.762 ' HE2' ' HG3' ' A' ' 71' ' ' GLN . 67.4 mtm -70.79 -39.64 73.01 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -67.93 -26.38 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.67 179.064 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -69.15 -27.03 65.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -95.32 -63.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.662 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.459 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 48.4 mtt180 -141.58 -75.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.327 . . . . 0.0 111.163 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 79' ' ' ARG . 38.7 p90 -157.26 174.9 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.244 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -87.31 130.77 34.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.795 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -136.9 112.0 9.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -108.84 -52.64 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.441 -0.79 . . . . 0.0 108.965 174.865 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.519 ' H2 ' ' CD ' ' A' ' 54' ' ' GLU . 9.9 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.807 0.337 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 17.1 tptm -176.04 -56.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.711 -176.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.46 ' HG2' ' HG3' ' A' ' 2' ' ' LYS . 14.4 pt20 -160.65 80.99 2.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 121.217 0.532 . . . . 0.0 111.736 -174.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -87.7 63.91 3.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.58 2.186 . . . . 0.0 111.521 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.848 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m 60.94 91.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.302 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.96 149.04 41.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.808 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.19 79.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.096 0.474 . . . . 0.0 110.913 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -79.47 100.91 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.878 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m 60.64 26.9 16.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.338 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.3 m 45.34 -163.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.455 1.102 . . . . 0.0 113.168 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.25 135.05 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.262 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 17.38 12.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 69.2 164.41 0.25 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.748 0.655 . . . . 0.0 111.715 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.21 -59.08 2.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.6 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -167.93 155.32 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.208 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.5 mttp 63.91 -171.84 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.672 0.608 . . . . 0.0 110.437 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 84.03 44.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.64 103.47 1.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.682 2.255 . . . . 0.0 113.094 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.62 78.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.902 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -115.98 -15.99 11.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.471 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 71.19 -36.32 0.36 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.788 0.835 . . . . 0.0 113.249 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.67 128.33 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.8 mptt -93.95 142.24 27.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -62.51 -54.5 38.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 110.477 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -174.66 -78.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.992 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -118.02 133.9 55.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -156.3 178.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 -172.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.09 132.47 53.54 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 170.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -73.24 154.5 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -57.04 -35.61 69.52 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.689 0.28 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.4 m -55.61 -46.28 77.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 110.348 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 13.0 mt-30 -70.66 -44.43 67.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.82 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.02 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.467 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.7 m -56.1 -44.97 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.497 0.189 . . . . 0.0 110.704 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.553 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 92.1 t -65.4 -44.86 94.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 90.0 mt -64.31 -45.33 88.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.148 0.499 . . . . 0.0 110.894 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.31 -32.73 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.98 -43.64 86.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.553 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 9.9 mpt_? -66.84 -47.43 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.79 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.35 -22.92 63.82 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -79.87 -27.25 40.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -103.21 -16.54 15.67 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.489 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -146.92 144.25 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -65.23 -46.88 78.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -145.0 169.21 18.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.464 0.173 . . . . 0.0 110.718 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.49 150.55 20.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -91.78 -179.45 5.33 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.537 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' HD11 ' A' ' 49' ' ' LEU . 2.4 tm? -64.11 -39.21 93.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.727 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.29 -28.2 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.049 0.452 . . . . 0.0 110.7 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.04 -40.6 53.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 ptp -62.95 -35.62 80.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.442 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.14 -33.43 63.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.087 175.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.9 tt0 -65.6 -53.76 37.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.8 -35.3 74.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 t -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.951 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -70.23 -37.32 74.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 0.0 110.934 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 54' ' ' GLU . 14.2 mm -66.54 -40.58 86.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.02 1.73 57.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.678 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 53.76 39.69 30.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.047 0.927 . . . . 0.0 109.808 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.39 177.35 4.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.992 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 31.4 t -87.36 148.07 25.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.312 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.08 -32.95 70.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.615 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.6 -35.71 81.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.545 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.507 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 55.2 mt-30 -72.24 -43.77 63.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -73.39 -37.91 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.237 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.3 -45.55 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.541 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -66.77 -36.63 82.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.426 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 42.4 t90 -60.28 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -56.04 -44.25 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.912 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -58.13 -48.23 80.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.462 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.24 -36.54 63.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.07 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 15.7 mm100 -61.11 -40.86 95.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -67.86 -39.49 83.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.262 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.5 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 70.8 mtm -66.96 -34.92 78.82 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.973 -178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -66.93 -35.02 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.861 0.363 . . . . 0.0 110.667 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 m -76.84 -38.06 54.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.569 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 75' ' ' MET . 9.6 ptmt -78.58 -31.48 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.433 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.18 26.9 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.756 -172.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.6 t90 -77.76 92.97 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -160.93 166.24 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -122.94 70.18 1.01 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.138 0.494 . . . . 0.0 111.595 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -174.06 135.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.121 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.474 -177.458 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.478 ' OG ' ' HG2' ' A' ' 51' ' ' GLN . 32.4 m . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 120.796 0.331 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -151.1 -71.29 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -119.27 82.62 23.72 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.375 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.58 ' HG2' HD12 ' A' ' 58' ' ' ILE . 7.1 Cg_exo -74.51 -41.7 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.525 2.15 . . . . 0.0 111.552 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.7 m -99.62 90.92 4.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.776 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -138.62 15.69 2.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.429 0.633 . . . . 0.0 109.404 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.05 145.32 41.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.842 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -95.37 97.43 9.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.055 0.455 . . . . 0.0 110.718 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -91.32 116.94 29.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.924 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.9 m -92.52 173.4 7.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.3 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t 59.52 72.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 109.844 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.66 96.84 5.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.329 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.9 118.85 13.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.954 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -78.75 151.96 31.76 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.123 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' CD ' ' HZ2' ' A' ' 17' ' ' LYS . 38.8 mt-10 -68.66 122.38 18.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.784 0.326 . . . . 0.0 110.192 177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -85.85 18.67 2.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.313 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HZ2' ' CD ' ' A' ' 15' ' ' GLU . 25.9 pttm -76.16 106.29 7.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.436 0.636 . . . . 0.0 109.572 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.07 89.24 49.09 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.667 -173.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.39 86.1 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.199 2.599 . . . . 0.0 113.19 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.2 t 56.97 72.49 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.45 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 64.54 -174.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.659 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -64.38 -17.78 64.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -173.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.733 ' HG2' ' H ' ' A' ' 24' ' ' LYS . 37.7 tt0 64.11 -176.48 0.16 Allowed 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.676 0.61 . . . . 0.0 111.135 174.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.733 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 20.0 ptmt -125.49 95.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.573 0.701 . . . . 0.0 110.182 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -102.0 162.94 12.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.827 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.472 ' C ' ' HG1' ' A' ' 27' ' ' THR . 8.4 mpt_? -76.97 -57.63 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 28' ' ' VAL . 1.1 m -159.5 171.55 19.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 171.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.525 ' H ' HG23 ' A' ' 27' ' ' THR . 14.1 m -145.45 -178.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.846 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.9 173.19 10.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.292 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -75.69 153.49 37.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 36' ' ' VAL . 5.6 m -64.44 -45.63 86.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.482 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HA ' HD21 ' A' ' 59' ' ' LEU . 90.3 mt-30 -64.66 -45.48 86.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.27 -46.79 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.074 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.32 -35.55 81.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.991 -176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.59 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 90.9 t -68.06 -43.88 85.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 110.251 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -43.13 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.1 0.476 . . . . 0.0 110.579 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.68 -53.4 34.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.251 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -38.57 88.5 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.196 -173.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.59 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -52.08 -52.26 52.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.587 0.232 . . . . 0.0 111.276 173.029 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.96 -21.33 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -80.12 -27.31 39.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.676 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -90.53 -37.73 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -129.33 155.69 45.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.73 -49.04 76.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.089 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -143.7 -165.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -117.24 139.63 50.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.461 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.498 ' HB3' ' HG3' ' A' ' 51' ' ' GLN . 32.7 t -80.64 176.79 9.49 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -40.33 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.014 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.43 -36.32 80.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.363 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 48' ' ' SER . 43.5 mt-30 -75.07 -42.33 57.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.514 -175.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -65.48 -42.94 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.593 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -36.17 68.27 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.626 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.664 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.5 tp10 -69.82 -42.54 73.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.23 -35.88 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.58 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -56.13 -48.19 76.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.76 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 21.5 t30 -59.83 -41.47 91.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.212 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.664 HG13 ' O ' ' A' ' 54' ' ' GLU . 39.4 mt -69.23 -46.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.375 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -88.09 3.64 48.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 60.89 31.71 20.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.52 0.676 . . . . 0.0 109.819 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.92 -176.66 3.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.238 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -98.25 146.56 25.52 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -57.93 -34.36 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.311 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.2 -43.81 93.92 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' OE1' ' HA ' ' A' ' 65' ' ' GLN . 15.0 mm-40 -67.98 -41.6 82.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.1 -40.64 75.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.755 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -62.54 -43.94 97.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.645 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.2 m -60.86 -38.38 85.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.308 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -51.37 69.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.22 0.533 . . . . 0.0 110.317 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -40.57 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.228 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -73.1 -28.77 62.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.047 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 75' ' ' MET . 10.9 t-20 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.525 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 13.9 mm100 -58.38 -41.44 84.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 173.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 15.0 mmm180 -64.36 -44.81 90.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.829 ' HE3' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -71.66 -25.39 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.757 -174.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.525 ' HD3' ' OE1' ' A' ' 73' ' ' GLN . 14.0 ptmm? -87.18 -17.92 31.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.1 m -50.45 -29.13 9.6 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -170.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.5 -64.41 0.91 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 79' ' ' ARG . 36.8 ttp180 -143.43 -73.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.419 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -141.18 102.07 4.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.829 ' HG3' ' HE3' ' A' ' 75' ' ' MET . 6.4 mp0 61.45 -172.89 0.14 Allowed 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.953 0.783 . . . . 0.0 110.817 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -76.13 87.26 3.0 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -93.69 118.87 31.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.087 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' C ' HD21 ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 O-C-N 124.182 0.926 . . . . 0.0 109.863 -178.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 63.57 -174.11 0.16 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.84 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -130.87 75.79 78.11 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.74 63.08 7.99 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.624 2.216 . . . . 0.0 111.795 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -118.13 -32.01 4.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.724 0.773 . . . . 0.0 109.806 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -112.09 85.43 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.373 177.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.37 -38.6 14.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 65.7 88.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.257 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 12' ' ' ALA . 14.3 p-10 -93.46 97.11 10.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.845 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.36 -49.47 67.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.707 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -111.05 24.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.777 0.799 . . . . 0.0 109.726 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . 73.15 -59.77 0.56 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.45 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 45.0 tttp 68.22 116.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.618 0.574 . . . . 0.0 110.553 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' HG3' ' A' ' 19' ' ' PRO . 52.7 mtpt -123.46 92.18 3.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.483 0.659 . . . . 0.0 110.031 177.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 63.49 -85.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.511 -177.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 17' ' ' LYS . 5.3 t70 -130.03 -154.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.498 0.19 . . . . 0.0 110.639 -170.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' H ' ' CG ' ' A' ' 16' ' ' ASP . 33.1 mmtp -72.49 95.4 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.003 -176.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 64.0 t 59.1 89.06 0.11 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 121.002 0.43 . . . . 0.0 111.132 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.583 ' HG3' ' HB2' ' A' ' 14' ' ' LYS . 13.2 Cg_endo -54.52 172.34 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.316 2.677 . . . . 0.0 113.184 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.2 t 65.98 93.06 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.831 -173.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -148.66 -62.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.933 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -163.96 28.83 0.08 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.352 0.596 . . . . 0.0 110.147 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.49 86.04 5.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.498 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -95.71 83.23 3.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.725 0.774 . . . . 0.0 110.766 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -88.51 157.33 18.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.458 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.584 ' HE ' ' HA ' ' A' ' 26' ' ' ARG . 4.7 tpm_? -73.49 -45.76 52.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 110.202 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -130.13 150.32 51.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.577 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.64 153.65 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.979 0.419 . . . . 0.0 111.135 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 21.6 m-30 -118.02 176.61 5.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 174.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -58.42 152.65 17.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 t -60.57 -37.04 80.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.995 0.426 . . . . 0.0 109.972 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 36' ' ' VAL . 3.3 m -66.15 -41.08 90.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.695 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.545 ' HG ' ' HB2' ' A' ' 29' ' ' PHE . 85.8 mt -59.35 -49.96 75.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.504 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.43 -30.72 69.67 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.665 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 45.7 t -66.18 -45.51 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.119 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.76 -44.04 94.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.423 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 11.4 t-20 -60.34 -49.06 79.11 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.4 t70 -56.66 -50.1 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.111 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 14.1 mmt180 -62.3 -40.82 97.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.222 -175.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -71.73 -22.44 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.095 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 16.0 mm100 -80.27 -25.21 39.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 174.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.3 mmt180 -83.33 -50.3 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.303 0.573 . . . . 0.0 110.115 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -126.94 153.11 46.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.002 -172.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.28 -51.43 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.487 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.687 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -147.32 152.98 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.171 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.37 144.52 34.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.838 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -79.0 177.38 8.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -40.3 94.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.431 -175.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -71.97 -36.65 69.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.628 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -70.98 -37.25 72.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.884 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.9 ptp -66.19 -44.55 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.29 -34.69 65.91 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.662 ' O ' HG13 ' A' ' 58' ' ' ILE . 8.0 tp10 -59.81 -53.24 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.36 -41.22 72.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.004 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -53.69 -54.39 38.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.5 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -66.73 -31.6 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.7 mt -70.46 -40.74 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.098 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.76 7.78 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.096 -177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 60.63 36.68 19.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.979 0.895 . . . . 0.0 110.084 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.15 174.18 5.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.234 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -96.57 140.11 31.68 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.322 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.82 -30.49 67.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.235 0.54 . . . . 0.0 109.742 174.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.11 -39.44 93.11 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.462 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 10.4 mm-40 -75.38 -44.12 46.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.496 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.45 -41.75 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.943 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 70' ' ' PHE . 1.1 tmmt? -69.03 -39.91 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.054 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.0 m -68.22 -40.29 82.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.837 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.417 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 11.8 t90 -65.91 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.687 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 68.2 t80 -58.64 -45.19 89.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.552 173.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 74.0 mm-40 -65.94 -28.34 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.746 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 95.4 m-20 -66.49 -42.14 87.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.467 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.96 -37.36 79.33 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.575 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 1.9 mmp_? -64.09 -41.55 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.206 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.468 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 17.0 ptp -73.49 -34.89 65.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.766 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 97.7 mttt -61.69 -26.67 68.18 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.552 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.3 m -57.42 -50.0 74.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.657 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -97.82 -23.87 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.788 0.328 . . . . 0.0 111.75 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.636 ' HG2' ' HB3' ' A' ' 83' ' ' ASN . 28.7 ttt85 -97.62 6.6 47.79 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.037 -170.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 10.0 t90 -66.67 126.45 28.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 111.367 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 78.5 mm-40 76.08 3.82 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.809 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -122.14 23.65 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.616 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.636 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 4.6 p-10 -116.98 160.76 20.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.453 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 173.536 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 47.0 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -63.89 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -61.86 -52.07 65.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.252 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.14 -45.87 83.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.368 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.21 -42.51 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.542 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -42.87 93.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -66.31 -42.29 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 95.1 mt -60.4 -49.39 77.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 58.2 t30 -66.84 -41.22 87.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.545 -176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.664 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 20.1 t70 -60.67 -50.88 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.711 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -64.36 -35.2 80.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.287 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.35 -26.2 64.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 14.8 mm100 -86.73 -37.62 17.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.7 mmt180 -74.15 -46.36 42.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.105 0.479 . . . . 0.0 110.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -100.05 -178.64 3.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.752 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.41 -55.03 5.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.259 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -164.55 -170.43 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.922 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.54 120.95 34.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 110.021 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 t -78.64 177.15 8.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.855 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 52' ' ' MET . 51.0 tp -60.79 -38.96 87.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.305 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.732 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 9.0 tt0 -77.33 -42.58 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.392 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -57.26 -34.76 68.95 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 22.6 ptp -64.31 -34.66 78.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.247 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 13.3 pt20 -75.77 -35.68 60.05 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.567 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 58' ' ' ILE . 1.9 mp0 -58.54 -53.74 54.88 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 109.97 172.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.26 -43.58 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.481 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 t -53.35 -46.4 69.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.747 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.31 -36.45 82.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.654 HG13 ' O ' ' A' ' 54' ' ' GLU . 28.6 mt -70.09 -44.91 77.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -175.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 59' ' ' LEU . 3.4 mm? -90.01 7.27 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.507 -175.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.19 31.33 19.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.697 0.761 . . . . 0.0 110.343 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -107.97 -178.0 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.667 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.839 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.2 t -99.83 143.77 29.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.138 0.494 . . . . 0.0 110.856 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.64 -30.98 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.555 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -69.81 -36.77 75.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.139 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.839 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 10.5 mm100 -75.22 -44.89 43.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.41 -39.97 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.33 -46.2 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.761 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.462 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.94 -47.24 86.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.042 0.449 . . . . 0.0 110.039 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -61.83 -47.73 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.273 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -67.51 -30.44 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.651 0.262 . . . . 0.0 111.639 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.93 -47.59 61.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.076 0.465 . . . . 0.0 109.897 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 86.2 mm-40 -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.481 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -77.31 -14.56 59.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 64.6 pttt . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.312 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -52.6 -48.03 66.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.7 m -65.19 -41.55 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 110.734 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.493 ' HG2' HD22 ' A' ' 59' ' ' LEU . 75.8 mt-30 -62.2 -48.02 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.23 -46.05 91.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.71 -49.8 75.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.342 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 42.0 t -66.53 -40.55 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.745 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.77 -47.89 81.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.94 -33.75 70.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.32 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -54.25 -44.94 72.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.094 0.473 . . . . 0.0 110.588 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 18.2 mmm180 -65.27 -42.58 93.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.97 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -74.15 -21.58 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.475 0.655 . . . . 0.0 111.213 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -76.75 -49.94 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 43' ' ' ARG . 59.5 mtt-85 -94.36 -10.42 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.524 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -139.76 156.49 46.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.763 0.316 . . . . 0.0 111.546 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -149.3 172.86 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.256 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -77.97 136.14 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 m -84.47 174.45 10.05 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.72 -41.66 98.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -72.47 -35.83 68.32 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.761 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 73.7 mt-30 -75.56 -31.19 59.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -174.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.8 ptp -68.85 -40.18 79.53 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.627 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.29 -34.15 63.45 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.532 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 58' ' ' ILE . 27.2 tt0 -63.87 -50.06 70.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.094 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -58.92 -39.42 81.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 178.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -45.26 71.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.29 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.08 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' GLU . 32.4 mt -65.41 -42.45 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.803 -175.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD22 ' HG2' ' A' ' 33' ' ' GLN . 34.0 mt -93.33 1.4 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.303 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 58.52 38.7 25.42 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.946 0.879 . . . . 0.0 110.08 -176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.9 mt -108.03 -176.68 3.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.452 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 t -98.81 142.14 30.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -53.97 -37.68 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.644 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.35 -37.48 80.54 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.194 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -69.2 -43.15 74.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.446 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.31 -39.15 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.963 0.411 . . . . 0.0 110.304 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -64.02 -49.43 72.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.941 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -64.43 -46.92 81.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.267 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -59.18 -48.33 82.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.391 . . . . 0.0 110.111 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -56.64 -51.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.325 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.73 -36.85 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 111.088 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.75 -51.04 53.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.75 -36.51 83.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.062 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.75 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.24 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -78.53 -41.16 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -69.57 -34.9 74.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.0 m -54.91 -43.7 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.053 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG2' HD22 ' A' ' 59' ' ' LEU . 79.0 mt-30 -71.51 -42.71 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 37' ' ' LEU . 91.6 mt -64.55 -37.87 89.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.132 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.79 -42.72 98.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.849 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 32' ' ' THR . 67.6 t -63.56 -38.36 82.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' CH2' ' A' ' 69' ' ' TRP . 73.5 mt -65.65 -42.27 91.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.284 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 44.0 t-20 -63.42 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.041 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 10.4 t70 -59.81 -56.51 20.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.585 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HB3' HD11 ' A' ' 47' ' ' LEU . 2.4 mpt_? -58.98 -40.37 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.482 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.91 -20.77 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.671 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -90.38 -42.23 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.507 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 15.7 mmm-85 -68.7 -39.81 80.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.135 0.493 . . . . 0.0 110.162 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -119.17 -178.02 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.465 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 12.5 mptt -88.11 -43.88 11.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.706 ' HB3' ' HZ ' ' A' ' 70' ' ' PHE . 64.6 m-85 -139.47 164.4 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.497 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 40' ' ' ARG . 9.7 mp -84.88 128.92 34.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.722 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -81.39 176.66 9.52 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.724 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.19 -36.04 80.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.427 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -35.42 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.074 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.32 -41.89 72.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.553 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 19.9 ptp -68.33 -34.78 76.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.643 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -74.83 -32.43 61.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.702 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' ILE . 37.5 tt0 -64.96 -48.38 74.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 109.868 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.39 -44.81 95.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.575 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 p -62.88 -32.24 73.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.065 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.81 88.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.5 mt -72.24 -47.03 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -174.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG2' ' A' ' 33' ' ' GLN . 77.3 mt -86.99 6.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 54.53 57.32 5.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.658 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.6 164.54 24.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.69 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 19.9 t -72.86 141.03 47.94 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.288 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 52' ' ' MET . 56.5 t80 -57.4 -36.05 70.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.4 -40.12 85.61 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.091 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 25.3 mm-40 -67.92 -41.33 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 56' ' ' SER . 79.9 t -68.89 -39.85 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 0.0 110.039 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.44 -44.66 93.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.718 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.0 m -70.3 -43.37 70.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.001 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' HD13 ' A' ' 37' ' ' LEU . 64.0 t90 -60.73 -43.99 97.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.706 ' HZ ' ' HB3' ' A' ' 46' ' ' TYR . 68.1 t80 -61.02 -49.32 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.967 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -66.01 -28.7 69.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.612 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 23.9 t-20 -69.84 -45.65 67.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.219 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 81.9 mm-40 -64.57 -31.72 73.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.12 0.486 . . . . 0.0 110.224 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.33 -41.79 69.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.037 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.612 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 23.0 ptp -72.0 -29.04 63.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.695 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.8 mmtp . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.213 0.53 . . . . 0.0 109.834 173.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . 16.2 m . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -51.69 -46.35 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.228 0.33 . . . . 0.0 110.789 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 11.5 m -58.99 -41.63 88.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.454 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.701 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 6.3 mm100 -67.72 -44.29 77.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.075 0.464 . . . . 0.0 109.833 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.24 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.851 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.06 -46.77 84.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.448 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.636 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 94.7 t -60.14 -42.12 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.56 -46.96 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.775 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -66.79 -44.78 80.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 7.7 t70 -59.14 -48.29 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.143 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 6.2 mpt_? -64.82 -45.92 84.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-85 -69.91 -21.19 63.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.498 . . . . 0.0 111.156 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.41 -30.78 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 37.7 mtt180 -90.01 -43.3 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.328 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 78.9 mt-30 -129.01 136.87 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.634 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.92 -43.16 96.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.21 150.05 48.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.522 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.8 148.98 29.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 m -80.83 175.7 10.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.983 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.27 -42.79 83.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.65 -26.87 63.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.182 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -74.87 -43.24 55.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.822 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.5 -38.26 90.4 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.551 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.85 -32.98 63.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.804 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 9.4 tp10 -71.64 -38.03 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.52 -46.96 87.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.514 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.3 p -60.37 -37.19 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.532 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.93 -38.62 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 26.4 mt -70.91 -44.21 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.949 0.404 . . . . 0.0 111.22 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 33' ' ' GLN . 3.2 mm? -88.71 4.69 46.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.427 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 t30 60.71 33.2 20.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.53 175.72 5.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.784 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 13.3 t -81.94 143.85 31.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.247 0.546 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -57.26 -36.78 71.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.288 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -71.97 -30.66 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.876 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.784 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 57.1 mt-30 -65.0 -43.83 91.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 91.9 t -71.75 -45.57 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.302 0.572 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -58.43 -44.24 89.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.42 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -74.78 -39.14 61.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -62.71 -49.53 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.58 -42.54 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.291 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 75' ' ' MET . 6.5 tp-100 -65.71 -46.61 78.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.25 -38.76 88.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.622 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.52 -48.61 81.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.402 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -72.23 -25.46 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.034 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 57.4 mtm -66.91 -42.81 84.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.7 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.2 mttm . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.253 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 p -52.48 -42.54 64.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.45 0.468 . . . . 0.0 111.888 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.5 m -56.66 -50.82 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.571 ' HG2' HD22 ' A' ' 59' ' ' LEU . 8.1 mt-30 -67.58 -39.85 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.707 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.16 -44.3 87.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.08 -41.95 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' THR . 85.1 t -64.38 -44.16 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.061 0.458 . . . . 0.0 110.619 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD13 ' CH2' ' A' ' 69' ' ' TRP . 95.1 mt -61.97 -49.95 74.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.98 -39.86 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 18.0 t70 -59.85 -51.49 69.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -75.17 -28.17 59.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -176.253 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.01 -18.63 63.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 111.002 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -83.57 -49.51 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.9 mmt180 -66.45 -52.66 44.01 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 109.836 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -90.73 -177.96 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.093 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 63.3 mmtt -112.04 -37.54 5.05 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.434 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.4 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 32.2 m-85 -146.99 176.87 9.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.24 137.43 37.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.156 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 p -92.12 179.47 5.57 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.64 -38.04 83.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.672 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.74 -43.67 58.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.911 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.99 -39.65 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.754 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.37 -38.98 81.92 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.07 -40.06 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.614 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 43.9 mt-10 -71.91 -38.44 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.785 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.37 -39.22 89.84 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.928 0.394 . . . . 0.0 110.289 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -52.95 -47.24 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.933 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.86 -40.13 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.7 mt -71.86 -47.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.229 -175.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 33' ' ' GLN . 89.3 mt -78.74 -0.23 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -175.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.17 25.46 13.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.802 0.81 . . . . 0.0 110.205 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.85 173.4 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.915 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 26.3 t -81.46 148.47 29.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 64.5 t80 -61.25 -33.97 74.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.582 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.02 -36.18 79.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.874 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 56.3 mt-30 -68.07 -44.06 77.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.189 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.14 -42.97 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.011 0.434 . . . . 0.0 110.734 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 47.7 tttp -63.79 -50.37 69.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.328 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.9 m -66.24 -36.15 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.203 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.458 ' CH2' HD13 ' A' ' 37' ' ' LEU . 27.7 t90 -64.07 -48.82 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.021 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 54.1 t80 -59.82 -40.8 89.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.433 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.741 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.627 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 11.5 m-80 -79.28 -44.35 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.082 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' PHE . 19.6 pt20 -61.9 -31.03 71.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.509 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -71.24 -44.23 65.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.301 178.397 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.627 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 21.2 ptp -78.9 -60.98 2.16 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 75' ' ' MET . 16.6 ptpt . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -165.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 m -49.88 -40.04 41.52 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 123.622 0.576 . . . . 0.0 110.842 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.64 -53.03 62.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.958 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG2' HD11 ' A' ' 59' ' ' LEU . 48.5 mt-30 -66.39 -37.93 86.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.719 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.18 -47.39 85.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.8 m -63.54 -36.19 82.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.373 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 77.4 t -61.72 -46.3 96.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.533 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.41 -44.15 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.034 0.445 . . . . 0.0 110.131 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -64.24 -36.42 84.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.58 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -65.01 -46.73 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.864 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 12.2 mmm180 -58.98 -41.69 88.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.566 0.222 . . . . 0.0 110.656 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 28.9 m-85 -74.35 -21.31 59.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.328 0.585 . . . . 0.0 111.372 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -38.21 59.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.573 174.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.8 mmt180 -69.53 -52.95 21.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 75.7 mt-30 -129.14 149.06 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.601 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.73 -39.29 93.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.54 157.58 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.74 147.65 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.329 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 p -89.83 177.97 6.36 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.812 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.3 -36.85 85.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.397 0.618 . . . . 0.0 109.707 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.84 -40.0 69.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.016 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -73.3 -34.08 65.54 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.35 -43.59 90.37 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.041 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.2 -31.79 64.4 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.433 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.9 tt0 -58.5 -53.96 52.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.978 173.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.959 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 63' ' ' TYR . 32.3 m -53.98 -53.14 57.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.243 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.69 -33.1 75.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.0 mt -71.37 -37.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 ' HG2' ' A' ' 33' ' ' GLN . 27.5 tp -92.2 0.04 57.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.1 t30 61.18 29.2 18.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.993 0.902 . . . . 0.0 109.76 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.35 165.44 11.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.403 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -82.04 144.03 31.13 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.447 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.499 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 20.3 t80 -53.81 -41.24 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.884 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.33 -26.83 63.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.47 -38.43 59.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.39 -42.25 64.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.282 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -62.23 -50.28 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.2 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.8 m -62.73 -42.4 99.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.656 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 39.8 t90 -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 29.3 t80 -60.87 -42.61 98.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.19 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.482 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 5.3 tp-100 -66.76 -35.64 80.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 0.0 110.432 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 11.8 m-80 -67.85 -50.95 53.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 70' ' ' PHE . 5.0 pp0? -63.21 -30.73 71.82 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 48.0 ttt180 -67.38 -45.06 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.079 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 69.7 mtm -64.81 -37.22 86.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.567 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 35.4 mmtp . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -61.72 -28.95 69.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -72.63 -46.75 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.753 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' ' 59' ' ' LEU . 48.7 mt-30 -63.68 -39.64 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.63 -34.34 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.73 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.56 -37.8 80.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 110.531 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.44 -43.43 81.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.154 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 27.9 t-20 -65.71 -43.53 88.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.72 -41.65 74.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HE ' HD13 ' A' ' 55' ' ' LEU . 1.2 mpt_? -55.28 -48.8 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.9 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.41 -21.64 59.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.043 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 12.4 mm100 -86.28 -24.93 25.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 111.575 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.599 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 2.4 mmp_? -85.9 -43.13 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.705 0.288 . . . . 0.0 110.456 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -128.27 144.53 51.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 20.7 ptmt -63.68 -24.02 67.61 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.308 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -147.79 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 47' ' ' LEU . 2.4 pp -107.65 128.13 54.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.324 0.583 . . . . 0.0 110.422 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -82.98 -174.54 5.34 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.259 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.02 -34.44 75.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.62 0.724 . . . . 0.0 109.237 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -29.22 62.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.057 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -75.54 -44.7 42.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.862 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB3' HD13 ' A' ' 47' ' ' LEU . 23.9 ptp -60.15 -38.77 84.16 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.29 -37.17 66.32 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.342 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 39.9 tt0 -64.0 -44.76 91.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.144 0.497 . . . . 0.0 109.937 175.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD13 ' HE ' ' A' ' 40' ' ' ARG . 50.1 tp -58.62 -46.13 87.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.874 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.3 m -52.78 -48.81 66.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.034 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -61.66 -33.76 74.53 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.745 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 14.2 mt -72.31 -39.58 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.0 111.442 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 33' ' ' GLN . 3.4 mm? -95.23 1.98 54.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.398 -175.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 36.99 18.44 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mp -107.95 168.97 8.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.347 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 42.5 t -84.81 137.97 32.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.283 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.66 -33.43 66.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.059 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.76 -37.83 76.55 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.958 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 84.4 mm-40 -68.85 -46.33 68.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -40.41 86.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 111.053 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.203 0.525 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -71.44 -34.19 70.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.685 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -56.92 -48.66 77.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.48 -41.04 88.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.096 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -67.33 -33.17 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 16.1 m-80 -74.3 -45.14 49.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.13 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.48 -40.08 93.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 74' ' ' ARG . 30.5 ttt180 -55.08 -49.97 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 176.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.28 -36.46 66.32 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.231 -172.66 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 19.9 ptmt . . . . . 0 C--N 1.329 -0.291 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.907 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -58.13 -38.81 77.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.06 0.457 . . . . 0.0 110.14 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.6 m -60.66 -48.16 83.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.526 ' HG2' HD22 ' A' ' 59' ' ' LEU . 55.1 mt-30 -60.98 -47.88 84.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.27 -43.98 92.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.703 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.93 -45.4 93.84 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.489 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.637 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 73.5 t -60.71 -44.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.752 -0.203 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 110.713 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -66.78 -41.49 87.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.634 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 1.1 m-20 -68.18 -31.56 71.19 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.428 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -62.39 -40.72 97.39 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.771 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.99 -28.3 57.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -83.12 -50.04 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.6 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.2 mmt180 -77.9 -38.98 44.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.429 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 mp0 -102.16 -178.91 3.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 41.0 tptt -90.93 -52.88 4.63 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.85 176.57 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.738 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 40' ' ' ARG . 7.3 mp -102.81 129.62 49.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.95 177.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.7 p -83.15 -177.36 6.73 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.32 -29.59 69.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.046 0.451 . . . . 0.0 110.093 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.83 -45.85 33.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.169 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.33 -34.86 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.537 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.8 ptp -66.66 -43.24 85.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.023 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 20.4 pt20 -73.97 -36.69 64.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.24 0.543 . . . . 0.0 110.168 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 58' ' ' ILE . 22.1 tt0 -63.38 -38.04 89.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.14 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 36' ' ' VAL . 32.5 tp -80.08 -37.47 33.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.383 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.413 ' HB3' HG21 ' A' ' 66' ' ' VAL . 80.2 p -57.55 -33.06 67.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.563 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.15 -35.44 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' GLU . 22.9 mt -72.02 -47.31 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.006 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 33' ' ' GLN . 97.4 mt -82.49 4.99 22.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.483 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 56.52 64.05 1.79 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.832 0.825 . . . . 0.0 110.072 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -137.31 171.28 14.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.458 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.753 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.8 t -86.29 146.91 26.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.482 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 29.1 t80 -57.51 -36.83 72.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -71.02 -35.33 71.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.11 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.753 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 15.9 mm100 -65.87 -44.79 84.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.268 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 56' ' ' SER . 72.3 t -72.94 -38.28 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.646 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.537 ' HG2' ' SD ' ' A' ' 52' ' ' MET . 3.6 tmtm? -58.37 -45.97 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.279 0.562 . . . . 0.0 109.747 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.4 m -63.96 -49.24 73.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.09 -44.22 97.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.0 -47.81 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.809 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -69.21 -42.41 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.579 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 19.5 t-20 -63.91 -50.3 69.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.77 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -59.65 -38.61 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -67.45 -48.95 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 24.8 ptm -70.34 -37.89 74.76 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.827 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt . . . . . 0 C--N 1.331 -0.208 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.074 -175.608 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 m -52.67 -35.21 54.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 111.233 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -61.92 -43.86 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.039 178.073 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -75.38 -40.74 57.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.13 -37.84 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.662 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.9 -40.28 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 32' ' ' THR . 59.9 t -64.52 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.565 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 55' ' ' LEU . 94.7 mt -60.85 -44.72 96.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 23.8 t-20 -64.14 -36.73 85.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.508 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.3 t70 -55.16 -50.33 69.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -38.87 79.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.7 -20.79 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 27.2 mm-40 -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.883 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 26.8 mmt180 -73.56 -37.77 65.43 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 110.836 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.44 161.91 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.925 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.93 -40.49 95.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 0.0 109.839 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.896 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 61.0 m-85 -143.2 147.62 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.308 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 52' ' ' MET . 1.4 pp -79.93 146.43 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.42 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -79.35 178.79 7.83 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.615 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 3.3 tm? -63.94 -38.69 92.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.073 -177.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.36 -29.51 65.06 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.749 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 57.7 mt-30 -76.01 -45.19 35.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.691 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.565 ' HB3' HD13 ' A' ' 47' ' ' LEU . 21.9 ptp -58.36 -45.26 88.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 11.4 pt20 -69.82 -35.24 74.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.549 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.7 tt0 -60.15 -54.03 50.76 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.012 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 HD23 ' A' ' 37' ' ' LEU . 46.7 tp -60.05 -41.39 92.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.314 -176.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 m -55.71 -53.4 57.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.535 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.96 -35.33 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.1 mt -81.17 -41.86 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.022 -175.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.2 tp -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.563 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.1 t30 62.62 32.96 16.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.697 0.76 . . . . 0.0 110.555 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -113.8 162.97 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.778 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 33.2 t -79.95 146.93 31.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.016 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 40.4 t80 -53.32 -37.35 62.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.584 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -66.6 -39.41 88.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.831 0.348 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 79.0 mt-30 -65.31 -44.79 86.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.509 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.97 -41.61 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.928 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 2.9 tmtp? -66.18 -40.66 90.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -69.71 -38.67 77.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.69 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.218 0.533 . . . . 0.0 109.717 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.896 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 2.7 t80 -58.8 -51.68 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.205 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 4.3 tp-100 -65.59 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.927 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.7 t-20 -71.0 -51.96 22.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.338 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 60.3 ttt180 -64.59 -47.15 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.486 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 20.9 ptp -78.71 -6.75 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 69.6 mmtt . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.768 0.318 . . . . 0.0 111.471 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -61.13 -32.21 71.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.797 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.4 m -60.71 -49.55 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.751 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.33 -49.54 71.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.13 -44.67 79.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.746 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.0 t -60.32 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.606 0.241 . . . . 0.0 111.267 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.54 -39.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.959 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.15 -41.8 99.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.344 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -64.2 -48.52 75.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.961 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.19 -53.11 61.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -63.42 -42.96 98.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.512 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 10.7 m-85 -73.92 -20.46 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -88.33 -23.49 23.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.74 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HG3' ' HG3' ' A' ' 44' ' ' GLN . 12.6 ptm180 -98.8 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 111.169 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 93.2 mt-30 -134.67 158.32 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -70.25 -52.59 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.484 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -149.92 165.25 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.61 149.11 22.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.607 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 p -87.76 177.35 7.04 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.54 -32.53 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -74.74 -39.36 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.218 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -75.29 -32.85 61.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.001 -175.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 ptp -67.44 -39.19 85.4 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.533 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.502 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 11.5 pt20 -74.31 -33.49 63.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.475 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.78 -36.94 83.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.503 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.02 -45.01 71.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.976 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.48 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 11.9 p -59.94 -30.03 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.759 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -67.33 -33.77 75.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.764 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.3 mt -71.15 -46.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.336 0.588 . . . . 0.0 110.606 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.27 1.6 44.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.758 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.44 40.41 20.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.871 0.843 . . . . 0.0 109.764 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.09 -177.39 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -93.49 146.73 23.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.846 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 14.4 t80 -56.74 -38.27 72.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.027 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -71.79 -32.07 67.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.3 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -67.67 -46.32 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 86.7 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.472 0.653 . . . . 0.0 110.552 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 46.1 tttp -61.77 -43.41 98.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.222 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -65.02 -40.05 94.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.459 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 2.5 t90 -65.83 -39.46 90.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 109.663 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.51 -44.92 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.291 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 50.2 mt-30 -67.69 -31.01 70.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.424 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.5 m-80 -73.82 -40.62 63.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.83 -35.07 77.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.294 0.569 . . . . 0.0 109.879 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -40.86 69.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.301 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.493 ' HG3' ' HA ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.19 -22.48 60.46 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.234 -0.587 . . . . 0.0 111.408 -176.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.1 mmtp . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 111.052 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.752 0.31 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -60.53 -38.1 83.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.969 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.2 p -68.0 -44.85 75.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.793 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -49.15 78.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.801 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.99 -41.03 86.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -61.29 -51.96 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.592 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 92.2 t -58.76 -46.72 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.495 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.814 ' HA ' ' HE ' ' A' ' 40' ' ' ARG . 98.9 mt -56.55 -53.66 54.96 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.46 -32.82 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 -173.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.41 -57.6 12.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.514 0.197 . . . . 0.0 111.452 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.971 HH22 ' HG ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.33 -23.89 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.078 -177.806 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.447 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 3.9 m-85 -68.85 -20.55 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.374 172.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.31 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.319 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 21.6 mmt180 -74.04 -23.51 59.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.884 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -127.39 -178.06 4.31 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -83.0 -52.83 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -152.38 -174.74 5.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 70' ' ' PHE . 96.5 mt -74.54 123.92 25.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.232 175.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -75.11 172.06 13.03 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -65.15 -41.36 94.8 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.585 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -71.46 -39.97 70.61 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.274 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -59.29 -45.14 92.07 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.81 -43.06 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.47 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -73.56 -35.68 65.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 58' ' ' ILE . 2.1 tp10 -64.5 -54.09 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.856 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.971 ' HG ' HH22 ' A' ' 40' ' ' ARG . 2.6 tm? -59.32 -42.74 92.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.975 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.1 t -53.19 -52.91 57.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.468 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.15 -34.91 79.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 54' ' ' GLU . 13.6 mt -80.2 -36.94 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 tp -87.05 0.27 55.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.479 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 65.86 32.11 8.93 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.122 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.94 -177.18 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -99.14 144.27 28.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -61.73 -30.66 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.923 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.73 -44.46 90.09 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.284 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.5 -46.39 79.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -42.54 90.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.04 0.448 . . . . 0.0 110.897 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.39 -44.41 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.501 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.7 m -65.53 -37.73 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.24 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 76.1 t90 -63.68 -41.34 98.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 47' ' ' LEU . 48.9 t80 -58.87 -43.32 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.814 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -64.87 -42.32 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.687 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 35.9 t-20 -65.58 -44.95 85.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.085 -176.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.86 -43.18 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.501 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -71.59 -39.09 70.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.687 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 19.5 ptp -72.98 -13.67 61.28 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.5 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 73.2 mmtt . . . . . 0 C--O 1.222 -0.352 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.9 m . . . . . 0 C--O 1.236 0.353 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.8 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.27 0.356 . . . . 0.0 110.943 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -42.24 92.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.374 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HG2' HD22 ' A' ' 59' ' ' LEU . 19.5 mt-30 -65.32 -50.46 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.622 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.61 -43.94 93.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.349 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.22 -52.01 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.174 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.11 -47.2 83.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.648 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.68 -40.38 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.655 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -60.55 -48.1 83.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.475 177.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -66.74 -34.67 78.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.774 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -69.74 -22.0 63.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.58 -28.6 28.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.112 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 18.5 mmt180 -79.43 -53.79 6.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.149 0.5 . . . . 0.0 110.192 177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -112.83 158.85 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.637 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.66 -48.23 80.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.282 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -149.57 176.09 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.667 0.27 . . . . 0.0 110.419 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.98 137.39 32.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.291 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.2 m -79.38 174.46 11.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.797 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.98 -41.84 97.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.45 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -75.07 -26.95 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.122 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -76.23 -37.19 58.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.113 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.12 -39.76 90.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -73.49 -31.88 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.115 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.1 tp10 -62.06 -53.84 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.287 175.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -35.14 74.44 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -53.68 -48.03 69.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.137 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.39 -34.85 75.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.03 0.443 . . . . 0.0 110.531 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 54' ' ' GLU . 27.7 mt -72.99 -43.65 58.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.153 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 33' ' ' GLN . 79.0 mt -90.11 6.62 41.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.569 -174.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.96 29.48 14.41 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.796 0.807 . . . . 0.0 110.684 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.66 -178.64 3.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.791 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 t -104.66 150.84 24.36 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.97 -35.31 69.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -61.4 -40.46 94.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.322 0.582 . . . . 0.0 109.74 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.19 -45.51 63.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.16 -40.67 75.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.346 -174.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -70.4 -42.96 70.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.3 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 110.777 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -62.2 -49.31 76.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.999 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -58.68 -40.56 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.153 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.33 -45.49 94.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.871 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.81 -42.5 66.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.025 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -56.51 -49.71 73.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.098 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.51 -38.72 87.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 61.6 mtm -63.51 -47.05 83.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.463 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.455 -176.152 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -59.85 -38.87 83.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.634 0.254 . . . . 0.0 110.387 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.9 m -58.16 -44.86 88.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' HD22 ' A' ' 59' ' ' LEU . 74.6 mt-30 -68.24 -45.91 71.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.156 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.93 -46.06 82.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.754 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.28 -47.02 87.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' THR . 98.3 t -64.26 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.91 -46.39 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -68.74 -36.89 78.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.521 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.673 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.4 t70 -65.03 -44.68 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.182 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HG2' HD21 ' A' ' 55' ' ' LEU . 2.4 tpt180 -58.62 -47.61 83.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.733 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 28.9 m-85 -67.59 -22.87 65.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.115 0.483 . . . . 0.0 111.39 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.43 -23.71 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 19.4 mmt180 -90.97 -43.46 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 64.3 tt0 -136.04 136.51 40.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -62.72 -26.95 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -171.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -135.23 164.01 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.046 0.45 . . . . 0.0 111.2 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.78 137.93 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.71 174.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -83.76 -176.29 6.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.02 0.438 . . . . 0.0 110.231 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.57 -39.8 94.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.535 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -76.7 -29.2 56.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 54' ' ' GLU . 25.9 mt-30 -76.94 -30.06 55.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.59 -36.78 70.96 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.858 -0.526 . . . . 0.0 110.635 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.64 -31.62 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 173.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 26.7 tt0 -58.95 -55.07 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.618 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 40' ' ' ARG . 1.7 mm? -64.32 -37.44 87.49 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.3 p -61.29 -45.77 93.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.019 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.59 -32.21 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.68 0.276 . . . . 0.0 111.503 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 24.3 mt -70.56 -53.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.977 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 33' ' ' GLN . 47.5 mt -83.5 8.47 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.461 -171.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t30 63.71 36.68 10.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.793 0.806 . . . . 0.0 110.25 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.8 -177.6 3.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.381 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -107.11 148.66 28.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.8 -42.25 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.034 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.41 -40.3 96.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.58 -34.19 64.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.336 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' A' ' 56' ' ' SER . 74.0 t -76.75 -38.62 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.043 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -63.34 -42.36 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.191 0.52 . . . . 0.0 110.069 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.3 m -70.04 -38.43 75.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.389 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -61.46 -45.47 94.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 85.9 t80 -57.55 -46.53 83.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.665 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -68.71 -36.29 78.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.75 -47.43 78.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.28 0.562 . . . . 0.0 109.914 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -63.08 -42.65 99.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.108 0.48 . . . . 0.0 109.974 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -66.85 -44.39 81.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.128 -177.123 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.2 ptp -67.27 -32.85 74.14 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.208 -176.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.861 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -55.46 -56.04 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.058 0.224 . . . . 0.0 111.321 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 36' ' ' VAL . 23.3 m -55.97 -40.01 72.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.285 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG2' HD22 ' A' ' 59' ' ' LEU . 57.4 mt-30 -59.5 -48.97 79.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.605 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -40.46 92.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.74 -43.13 98.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.96 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.604 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 88.4 t -66.14 -41.06 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.833 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 96.0 mt -57.04 -46.42 82.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.274 0.559 . . . . 0.0 110.076 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.597 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 46.2 t30 -64.29 -43.48 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.114 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.567 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 7.2 t70 -55.24 -47.23 75.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.604 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -53.18 -48.43 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 178.079 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 26.0 m-85 -73.85 -22.13 59.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 26.9 mm-40 -73.06 -46.88 49.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.997 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.1 mmt180 -72.08 -37.31 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 0.0 110.299 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -140.9 135.73 31.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.437 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HE2' ' CE2' ' A' ' 46' ' ' TYR . 20.9 ptmt -64.55 -22.59 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HE2' ' A' ' 45' ' ' LYS . 44.9 m-85 -137.91 168.24 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.644 0.259 . . . . 0.0 110.349 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 70' ' ' PHE . 92.6 mt -90.05 127.79 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -86.24 177.71 7.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.908 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.94 -35.9 81.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.586 0.708 . . . . 0.0 109.437 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -73.73 -40.37 63.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.734 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.57 -42.06 87.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.422 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.0 ptp -67.6 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.376 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -71.92 -34.28 68.96 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.344 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.5 -50.15 70.76 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.33 -50.94 68.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.676 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.512 ' HB3' HG21 ' A' ' 66' ' ' VAL . 16.3 p -59.78 -37.62 79.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.858 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -73.39 -32.73 64.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 0.0 110.983 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.7 mt -72.52 -44.33 61.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' HG2' ' A' ' 33' ' ' GLN . 38.2 mt -92.15 0.47 57.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.333 -174.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.66 44.54 20.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.002 0.906 . . . . 0.0 110.008 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.3 tp -109.15 168.08 9.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.452 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 26.4 t -76.14 137.11 39.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.32 -34.99 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.559 0.695 . . . . 0.0 109.627 174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -70.59 -38.17 73.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.005 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 28.9 mm-40 -68.16 -42.2 80.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 56' ' ' SER . 98.2 t -64.0 -45.94 95.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.409 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 7.7 tmtt? -61.61 -41.44 97.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.194 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.43 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 91.9 m -72.37 -34.67 68.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.606 -177.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -56.0 27.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.416 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.428 ' HB3' HD12 ' A' ' 47' ' ' LEU . 3.4 p90 -70.82 -32.44 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.665 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 75' ' ' MET . 85.4 mt-30 -65.27 -50.13 66.92 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -65.9 -32.48 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -62.11 -53.36 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.126 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -72.53 -15.77 61.77 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.402 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 71' ' ' GLN . 72.1 mmm -63.01 -49.87 72.93 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.4 m -57.02 -31.75 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.295 0.372 . . . . 0.0 111.562 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m -59.95 -43.52 94.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.033 0.444 . . . . 0.0 110.648 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.549 ' HG2' HD22 ' A' ' 59' ' ' LEU . 77.6 mt-30 -73.68 -40.57 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.64 -46.56 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.113 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.58 -40.31 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.84 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 65.6 t -60.18 -49.0 85.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.581 0.229 . . . . 0.0 110.542 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.27 -47.12 87.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.793 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 51.5 t30 -65.52 -38.92 91.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.1 t70 -61.55 -45.37 94.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.105 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 15.1 mmt180 -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.76 -27.56 66.62 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.021 0.438 . . . . 0.0 111.381 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 15.1 mm100 -82.54 -31.95 28.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.184 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 27.7 mmt180 -74.86 -49.96 18.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.401 0.619 . . . . 0.0 109.489 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' OE1' ' HB2' ' A' ' 43' ' ' ARG . 21.5 mp0 -124.61 134.76 52.82 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.96 -42.95 99.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -138.96 149.85 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.06 142.18 27.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.9 t -83.51 179.58 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.982 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.65 -34.86 79.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.645 -174.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -75.97 -32.13 59.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.167 0.508 . . . . 0.0 110.154 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -75.25 -32.54 61.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.862 -174.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptp -67.09 -40.55 86.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.006 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' SER . 8.8 pt20 -74.17 -32.02 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.054 175.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 58' ' ' ILE . 34.7 tt0 -58.95 -48.77 80.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.043 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -37.14 81.07 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 37.0 t -51.95 -41.87 62.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.341 176.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.98 -33.22 73.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.3 mt -69.32 -38.78 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.316 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.549 HD22 ' HG2' ' A' ' 33' ' ' GLN . 69.9 mt -97.3 5.64 49.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.196 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 54.23 45.86 26.45 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.921 0.867 . . . . 0.0 110.129 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.55 -176.88 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.763 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 24.2 t -94.79 140.7 29.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.17 -35.76 72.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -64.82 -36.27 83.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.6 mm-40 -70.95 -46.34 62.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.489 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.55 -40.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.083 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 14.2 tmtt? -64.41 -44.68 90.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.162 0.506 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m -74.89 -37.93 61.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.86 -45.5 82.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.536 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 29.1 mm-40 -63.63 -46.4 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.493 . . . . 0.0 110.879 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.789 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 28.2 t-20 -71.93 -30.69 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.238 -175.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 42.8 tp60 -68.81 -38.98 80.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 74' ' ' ARG . 25.5 tpt180 -72.92 -39.24 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.211 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.789 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 18.2 ptp -68.19 -28.2 67.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.701 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HZ2' ' HA ' ' A' ' 73' ' ' GLN . 9.0 ptpp? . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.687 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -53.9 -42.01 68.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.389 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.5 p -62.19 -45.61 92.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.98 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 35.0 tt0 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.949 -175.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.755 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -64.05 -40.2 95.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.923 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 32' ' ' THR . 92.8 t -66.89 -38.69 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 111.022 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 97.9 mt -63.92 -43.46 95.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 110.308 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.52 -36.61 81.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -53.44 -43.88 68.4 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.627 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 55' ' ' LEU . 6.8 mpt_? -76.25 -52.03 10.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.564 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.85 -20.76 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.59 -42.13 29.94 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.528 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -100.94 -8.66 22.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.815 0.34 . . . . 0.0 111.553 -174.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -134.48 136.57 43.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.26 -38.66 91.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.761 0.315 . . . . 0.0 111.231 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -151.15 165.18 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.64 121.93 25.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.38 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -75.98 173.95 10.59 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.625 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.4 mt -66.22 -39.45 89.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.23 0.538 . . . . 0.0 109.954 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -67.5 -34.5 77.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.02 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -75.16 -44.45 46.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.077 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.6 ptp -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.615 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 pt20 -74.23 -34.95 63.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.222 0.534 . . . . 0.0 110.277 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.07 -50.98 68.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.461 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 40' ' ' ARG . 3.5 mm? -58.58 -42.07 87.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.673 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 10.7 p -62.83 -38.77 92.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.122 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.57 -37.96 83.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.762 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.6 mt -75.31 -46.14 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.73 5.77 12.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.734 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 60.04 34.27 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.189 0.518 . . . . 0.0 110.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.99 177.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.879 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.72 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 25.3 t -93.6 145.48 24.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 75.8 t80 -57.2 -36.13 70.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.095 176.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.19 -38.87 91.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.68 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.72 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.4 mm-40 -68.12 -44.98 74.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.074 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 78.6 t -69.49 -42.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.911 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 8.1 tmtt? -61.94 -42.59 99.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.432 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.7 m -71.5 -40.79 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -60.55 -41.94 95.53 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.17 -48.09 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.54 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.512 . . . . 0.0 111.142 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -67.41 -45.07 77.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.827 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -64.52 -37.5 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.319 0.581 . . . . 0.0 109.821 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -70.9 -47.97 56.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.474 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.632 -173.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.225 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.573 ' N ' HE21 ' A' ' 33' ' ' GLN . 10.6 t . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 p -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.412 0.445 . . . . 0.0 110.749 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.8 p -59.08 -48.07 82.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.573 HE21 ' N ' ' A' ' 30' ' ' SER . 45.6 mt-30 -57.53 -48.41 79.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.549 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.62 -29.94 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.623 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.81 -46.51 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.05 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' THR . 57.4 t -64.74 -41.01 91.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.004 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.63 -43.47 96.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.014 0.435 . . . . 0.0 110.225 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.502 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.39 -45.26 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.227 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HB3' HD21 ' A' ' 47' ' ' LEU . 9.0 mpt_? -77.16 -51.45 10.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.532 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -72.95 -20.57 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -94.03 -8.45 39.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.985 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -109.86 -25.12 10.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.04 0.448 . . . . 0.0 111.188 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -112.55 169.97 8.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -80.97 -46.61 14.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 0.0 109.85 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.676 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 49.9 m-85 -153.84 179.74 8.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 51' ' ' GLN . 63.1 mt -104.19 135.89 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.151 0.501 . . . . 0.0 110.813 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -86.68 -177.42 6.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.798 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.03 -36.29 79.14 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.782 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -73.88 -36.29 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.323 0.583 . . . . 0.0 110.331 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.574 ' HB3' HD22 ' A' ' 47' ' ' LEU . 91.9 mt-30 -76.38 -31.23 57.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.913 -175.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 -35.28 65.46 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.313 -0.242 . . . . 0.0 111.139 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.98 -31.81 63.15 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 110.349 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 23.4 tt0 -62.52 -49.21 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HB3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -51.94 -51.44 57.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.966 -178.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -60.34 -37.75 81.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -66.48 -36.87 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.433 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.2 mt -72.84 -43.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.077 0.465 . . . . 0.0 111.437 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.63 7.99 43.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.897 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.66 52.75 9.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.896 0.855 . . . . 0.0 109.881 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.0 175.36 7.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.639 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.487 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 46.8 t -93.9 146.42 23.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.228 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -56.15 -40.03 73.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.586 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -36.85 84.01 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.329 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 98.6 mt-30 -65.2 -43.45 91.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.181 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 55' ' ' LEU . 87.9 t -71.03 -41.94 76.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.691 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -63.37 -37.83 88.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.429 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.0 m -66.5 -43.09 86.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -63.95 -44.06 93.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 44.7 t80 -56.1 -49.64 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.033 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.04 -39.76 95.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -66.87 -46.98 73.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.37 -41.57 97.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -68.09 -37.14 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.4 mtm -70.79 -39.64 73.01 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.689 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.67 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.457 -0.095 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -57.04 -35.61 69.52 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.689 0.28 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m -55.61 -46.28 77.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 110.348 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 13.0 mt-30 -70.66 -44.43 67.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.82 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.02 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.467 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.7 m -56.1 -44.97 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.497 0.189 . . . . 0.0 110.704 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 92.1 t -65.4 -44.86 94.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 90.0 mt -64.31 -45.33 88.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.148 0.499 . . . . 0.0 110.894 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.31 -32.73 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.98 -43.64 86.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 9.9 mpt_? -66.84 -47.43 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.79 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.35 -22.92 63.82 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -79.87 -27.25 40.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -103.21 -16.54 15.67 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.489 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -146.92 144.25 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -65.23 -46.88 78.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -145.0 169.21 18.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.464 0.173 . . . . 0.0 110.718 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.49 150.55 20.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -91.78 -179.45 5.33 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.537 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.4 tm? -64.11 -39.21 93.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.727 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.29 -28.2 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.049 0.452 . . . . 0.0 110.7 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.04 -40.6 53.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 ptp -62.95 -35.62 80.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.442 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.14 -33.43 63.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.087 175.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.9 tt0 -65.6 -53.76 37.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.8 -35.3 74.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 t -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.951 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -70.23 -37.32 74.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 0.0 110.934 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 54' ' ' GLU . 14.2 mm -66.54 -40.58 86.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.02 1.73 57.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.678 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 53.76 39.69 30.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.047 0.927 . . . . 0.0 109.808 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.39 177.35 4.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.992 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 31.4 t -87.36 148.07 25.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.312 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.08 -32.95 70.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.615 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.6 -35.71 81.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.545 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 55.2 mt-30 -72.24 -43.77 63.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -73.39 -37.91 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.237 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.3 -45.55 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.541 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -66.77 -36.63 82.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 42.4 t90 -60.28 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -56.04 -44.25 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.912 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -58.13 -48.23 80.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.462 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.24 -36.54 63.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.07 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 15.7 mm100 -61.11 -40.86 95.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -67.86 -39.49 83.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.262 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 70.8 mtm -66.96 -34.92 78.82 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.973 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.861 0.363 . . . . 0.0 110.667 175.081 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.6 m -64.44 -45.63 86.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.482 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.593 ' HA ' HD22 ' A' ' 59' ' ' LEU . 90.3 mt-30 -64.66 -45.48 86.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.27 -46.79 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.074 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.32 -35.55 81.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.991 -176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.588 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 90.9 t -68.06 -43.88 85.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 110.251 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -43.13 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.1 0.476 . . . . 0.0 110.579 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.68 -53.4 34.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.251 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.12 -38.57 88.5 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.196 -173.033 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -52.08 -52.26 52.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.587 0.232 . . . . 0.0 111.276 173.029 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.96 -21.33 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -80.12 -27.31 39.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.676 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.7 mmm180 -90.53 -37.73 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -129.33 155.69 45.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.73 -49.04 76.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.089 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -143.7 -165.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -117.24 139.63 50.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.461 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' ' HG3' ' A' ' 51' ' ' GLN . 32.7 t -80.64 176.79 9.49 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -40.33 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.014 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.43 -36.32 80.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.363 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.5 ' HG3' ' HB3' ' A' ' 48' ' ' SER . 43.5 mt-30 -75.07 -42.33 57.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.514 -175.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -65.48 -42.94 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.593 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.52 -36.17 68.27 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.626 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.674 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.5 tp10 -69.82 -42.54 73.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.23 -35.88 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.58 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -56.13 -48.19 76.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.76 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 21.5 t30 -59.83 -41.47 91.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.212 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.674 HG13 ' O ' ' A' ' 54' ' ' GLU . 39.4 mt -69.23 -46.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.375 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -88.09 3.64 48.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 60.89 31.71 20.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.52 0.676 . . . . 0.0 109.819 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.92 -176.66 3.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.238 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -98.25 146.56 25.52 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -57.93 -34.36 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.311 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.2 -43.81 93.92 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.457 ' OE1' ' HA ' ' A' ' 65' ' ' GLN . 15.0 mm-40 -67.98 -41.6 82.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.1 -40.64 75.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.755 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -62.54 -43.94 97.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.645 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.2 m -60.86 -38.38 85.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.308 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -51.37 69.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.22 0.533 . . . . 0.0 110.317 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -40.57 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.228 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -73.1 -28.77 62.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.047 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 75' ' ' MET . 10.9 t-20 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.535 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 13.9 mm100 -58.38 -41.44 84.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 173.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 15.0 mmm180 -64.36 -44.81 90.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -71.66 -25.39 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.757 -174.013 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' OE1' ' A' ' 73' ' ' GLN . 14.0 ptmm? . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 t -60.57 -37.04 80.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.995 0.426 . . . . 0.0 109.972 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.3 m -66.15 -41.08 90.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.695 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.35 -49.96 75.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.504 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.43 -30.72 69.67 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.672 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 45.7 t -66.18 -45.51 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.119 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.76 -44.04 94.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.423 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 11.4 t-20 -60.34 -49.06 79.11 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.4 t70 -56.66 -50.1 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.111 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 14.1 mmt180 -62.3 -40.82 97.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.222 -175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -71.73 -22.44 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.095 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 16.0 mm100 -80.27 -25.21 39.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 174.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.3 mmt180 -83.33 -50.3 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.303 0.573 . . . . 0.0 110.115 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -126.94 153.11 46.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.002 -172.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.28 -51.43 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.487 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.682 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -147.32 152.98 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.171 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.37 144.52 34.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.838 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -79.0 177.38 8.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -40.3 94.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.431 -175.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -71.97 -36.65 69.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.628 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -70.98 -37.25 72.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.884 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.9 ptp -66.19 -44.55 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.29 -34.69 65.91 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 58' ' ' ILE . 8.0 tp10 -59.81 -53.24 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.36 -41.22 72.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.004 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -53.69 -54.39 38.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.5 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -66.73 -31.6 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.7 mt -70.46 -40.74 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.098 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 59' ' ' LEU . 4.4 mm? -93.76 7.78 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.096 -177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 60.63 36.68 19.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.979 0.895 . . . . 0.0 110.084 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.15 174.18 5.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.234 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -96.57 140.11 31.68 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.322 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.82 -30.49 67.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.235 0.54 . . . . 0.0 109.742 174.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.11 -39.44 93.11 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.462 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.58 ' OE1' ' HA ' ' A' ' 65' ' ' GLN . 10.4 mm-40 -75.38 -44.12 46.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.496 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.45 -41.75 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.943 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 70' ' ' PHE . 1.1 tmmt? -69.03 -39.91 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.054 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.0 m -68.22 -40.29 82.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.837 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 11.8 t90 -65.91 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.682 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 68.2 t80 -58.64 -45.19 89.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.552 173.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 74.0 mm-40 -65.94 -28.34 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.746 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 95.4 m-20 -66.49 -42.14 87.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.467 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.96 -37.36 79.33 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 1.9 mmp_? -64.09 -41.55 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.206 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.471 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 17.0 ptp -73.49 -34.89 65.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.766 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 97.7 mttt . . . . . 0 N--CA 1.465 0.282 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.552 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.681 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 38.8 ttmt -116.91 114.83 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -98.35 88.81 0.72 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.757 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.681 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 3.1 Cg_exo -78.68 64.01 8.6 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.894 2.396 . . . . 0.0 112.652 -173.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -72.62 -18.99 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.738 0.78 . . . . 0.0 110.252 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -154.17 -177.39 6.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.834 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.34 79.57 0.24 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.582 0.706 . . . . 0.0 111.318 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.61 176.1 5.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -95.26 90.15 5.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 m -56.27 110.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.529 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.8 t 60.35 83.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.27 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.95 -65.98 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.804 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -179.08 169.49 1.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.82 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -125.51 139.25 53.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.57 -30.65 46.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.556 0.693 . . . . 0.0 109.24 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.74 128.46 54.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.626 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 54.8 mtmt -125.07 40.93 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' ' 21' ' ' LYS . 61.9 t -104.98 90.43 3.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.77 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.626 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 23.1 Cg_exo -63.66 91.23 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.967 2.445 . . . . 0.0 113.26 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.6 t 48.26 88.0 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.092 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' HG13 ' A' ' 18' ' ' VAL . 99.3 mttt -138.17 160.5 39.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.339 176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 tptt 70.15 20.83 6.2 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.665 0.603 . . . . 0.0 110.5 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 67.04 -165.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.783 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -108.68 142.3 39.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.688 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.7 p -93.83 30.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.731 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' THR . 10.4 mmt180 67.78 -74.64 0.07 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.527 0.517 . . . . 0.0 110.511 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -90.32 139.2 30.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.14 154.61 15.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.836 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -108.49 144.82 35.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 47.0 t -90.68 154.35 19.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -63.89 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -61.86 -52.07 65.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.252 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.14 -45.87 83.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.368 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.21 -42.51 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.542 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -42.87 93.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -66.31 -42.29 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 95.1 mt -60.4 -49.39 77.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 58.2 t30 -66.84 -41.22 87.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.545 -176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.664 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 20.1 t70 -60.67 -50.88 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.711 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -64.36 -35.2 80.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.287 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.35 -26.2 64.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 14.8 mm100 -86.73 -37.62 17.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.7 mmt180 -74.15 -46.36 42.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.105 0.479 . . . . 0.0 110.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -100.05 -178.64 3.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.752 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.41 -55.03 5.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.259 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -164.55 -170.43 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.922 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.54 120.95 34.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 110.021 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 t -78.64 177.15 8.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.855 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 52' ' ' MET . 51.0 tp -60.79 -38.96 87.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.305 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.732 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 9.0 tt0 -77.33 -42.58 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.392 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -57.26 -34.76 68.95 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 22.6 ptp -64.31 -34.66 78.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.247 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 13.3 pt20 -75.77 -35.68 60.05 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.567 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 58' ' ' ILE . 1.9 mp0 -58.54 -53.74 54.88 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 109.97 172.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.26 -43.58 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.481 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 t -53.35 -46.4 69.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.747 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.31 -36.45 82.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.654 HG13 ' O ' ' A' ' 54' ' ' GLU . 28.6 mt -70.09 -44.91 77.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -175.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 59' ' ' LEU . 3.4 mm? -90.01 7.27 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.507 -175.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.19 31.33 19.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.697 0.761 . . . . 0.0 110.343 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -107.97 -178.0 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.667 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.839 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.2 t -99.83 143.77 29.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.138 0.494 . . . . 0.0 110.856 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.64 -30.98 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.555 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -69.81 -36.77 75.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.139 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.839 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 10.5 mm100 -75.22 -44.89 43.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.41 -39.97 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.33 -46.2 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.761 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.462 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.94 -47.24 86.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.042 0.449 . . . . 0.0 110.039 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -61.83 -47.73 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.273 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -67.51 -30.44 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.651 0.262 . . . . 0.0 111.639 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.93 -47.59 61.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.076 0.465 . . . . 0.0 109.897 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 86.2 mm-40 -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.481 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -77.31 -14.56 59.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 64.6 pttt -61.23 -28.42 69.15 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.312 -177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.21 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -92.99 -45.5 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.698 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 80' ' ' TRP . 68.7 mtp180 -108.86 -78.21 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.774 -177.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 51.0 t-105 173.9 155.88 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -82.77 135.26 35.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.419 . . . . 0.0 110.415 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.27 138.5 54.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.313 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -42.76 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.1 t30 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.778 -179.772 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.408 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 32.1 t . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -164.16 26.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.353 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -53.5 144.46 32.46 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.398 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.53 -4.71 15.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.798 2.332 . . . . 0.0 112.525 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.89 81.45 8.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.181 0.515 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -107.94 -39.95 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 171.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.0 -83.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.739 -1.118 . . . . 0.0 108.594 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -137.73 172.55 12.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -92.11 140.98 29.1 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.645 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.621 ' O ' HG22 ' A' ' 11' ' ' VAL . 17.0 m -89.55 139.36 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 10' ' ' SER . 1.6 m 59.28 170.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.221 1.008 . . . . 0.0 111.254 -173.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.35 101.82 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.437 0.636 . . . . 0.0 111.402 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -78.94 62.02 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.423 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 32.6 mmtp 65.1 56.31 1.04 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.126 -171.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 71.69 164.59 0.28 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 113.919 -1.492 . . . . 0.0 112.221 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -91.06 110.47 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.04 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -79.22 67.78 5.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.903 -171.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 20' ' ' VAL . 61.6 t -134.0 86.1 38.42 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-O 121.014 0.435 . . . . 0.0 110.534 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.93 101.9 0.67 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.186 2.591 . . . . 0.0 111.66 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG23 HG12 ' A' ' 18' ' ' VAL . 40.0 t -122.58 77.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.536 0.684 . . . . 0.0 110.473 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -164.76 141.58 6.09 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.569 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -76.32 75.42 3.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 0.0 109.989 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.403 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 28.0 pt20 -143.75 125.07 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 111.364 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -121.9 96.68 5.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.39 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.37 16.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.958 -166.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 69.55 -70.61 0.14 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.038 0.447 . . . . 0.0 111.088 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -98.83 142.85 29.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.39 163.89 36.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.212 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' A' ' 34' ' ' LEU . 97.8 m-85 -100.72 152.88 19.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 m -67.87 163.16 22.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.471 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -52.6 -48.03 66.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.7 m -65.19 -41.55 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 110.734 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.493 ' HG2' HD22 ' A' ' 59' ' ' LEU . 75.8 mt-30 -62.2 -48.02 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 29' ' ' PHE . 66.9 mt -60.23 -46.05 91.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.71 -49.8 75.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.342 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 42.0 t -66.53 -40.55 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.745 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.77 -47.89 81.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.94 -33.75 70.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.32 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -54.25 -44.94 72.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.094 0.473 . . . . 0.0 110.588 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 18.2 mmm180 -65.27 -42.58 93.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.97 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -74.15 -21.58 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.475 0.655 . . . . 0.0 111.213 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -76.75 -49.94 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 43' ' ' ARG . 59.5 mtt-85 -94.36 -10.42 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.524 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -139.76 156.49 46.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.763 0.316 . . . . 0.0 111.546 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -149.3 172.86 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.256 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -77.97 136.14 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 m -84.47 174.45 10.05 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.72 -41.66 98.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -72.47 -35.83 68.32 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.761 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 73.7 mt-30 -75.56 -31.19 59.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -174.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.8 ptp -68.85 -40.18 79.53 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.627 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.29 -34.15 63.45 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.532 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 58' ' ' ILE . 27.2 tt0 -63.87 -50.06 70.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.094 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -58.92 -39.42 81.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 178.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -45.26 71.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.29 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.08 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' GLU . 32.4 mt -65.41 -42.45 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.803 -175.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD22 ' HG2' ' A' ' 33' ' ' GLN . 34.0 mt -93.33 1.4 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.303 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 58.52 38.7 25.42 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.946 0.879 . . . . 0.0 110.08 -176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.9 mt -108.03 -176.68 3.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.452 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 t -98.81 142.14 30.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -53.97 -37.68 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.644 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.35 -37.48 80.54 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.194 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -69.2 -43.15 74.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.446 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.31 -39.15 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.963 0.411 . . . . 0.0 110.304 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -64.02 -49.43 72.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.941 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -64.43 -46.92 81.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.267 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -59.18 -48.33 82.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.391 . . . . 0.0 110.111 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -56.64 -51.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.325 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.515 ' HG3' ' HE1' ' A' ' 75' ' ' MET . 6.5 tp-100 -62.73 -36.85 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 111.088 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.75 -51.04 53.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.75 -36.51 83.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.062 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.75 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.24 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.515 ' HE1' ' HG3' ' A' ' 71' ' ' GLN . 74.5 mtm -78.53 -41.16 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HG3' ' HB2' ' A' ' 81' ' ' GLN . 91.9 mttt -73.86 -22.61 59.69 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.9 p -74.99 -26.89 59.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 111.179 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.52 -43.37 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -137.56 -76.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.947 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' LYS . 2.8 p-90 -178.63 -171.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.94 129.38 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -87.39 150.03 24.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.226 -177.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.53 127.86 33.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.637 -179.819 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 57.1 tttp -73.42 -8.69 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 79.4 mt-30 72.46 157.63 0.16 Allowed Pre-proline 0 N--CA 1.465 0.31 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HA ' HH12 ' A' ' 40' ' ' ARG . 33.3 Cg_exo -57.93 105.67 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -86.31 152.84 22.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -54.86 147.32 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.003 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.22 -176.5 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.843 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -94.14 -170.19 2.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.695 0.284 . . . . 0.0 110.898 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -83.47 170.81 14.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.92 -173.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 t 68.28 77.77 0.24 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.29 131.29 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.839 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 119.83 26.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.761 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -77.39 -25.71 51.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 1.053 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -149.18 118.8 6.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 111.746 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.7 mp0 -58.78 -46.71 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.137 176.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -85.97 24.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.972 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.13 174.67 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.761 0.663 . . . . 0.0 112.528 174.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' A' ' 21' ' ' LYS . 14.5 p 43.04 84.64 0.18 Allowed Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.674 176.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 49.7 Cg_exo -56.33 98.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.761 2.974 . . . . 0.0 114.645 -171.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 20' ' ' VAL . 17.0 t 58.38 39.96 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.209 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.796 ' HB2' HG22 ' A' ' 18' ' ' VAL . 5.1 mptp? -98.51 -13.76 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.545 0.688 . . . . 0.0 109.286 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -88.85 84.58 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.313 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.26 155.38 40.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.926 -174.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.719 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 13.5 t -127.55 -178.87 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' THR . 47.1 mtp180 71.72 -70.86 0.15 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.254 0.621 . . . . 0.0 111.082 -176.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 p -140.64 145.81 37.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.96 157.24 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.113 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -114.55 171.05 7.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.418 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -125.11 151.76 45.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -69.57 -34.9 74.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.0 m -54.91 -43.7 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.053 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG2' HD22 ' A' ' 59' ' ' LEU . 79.0 mt-30 -71.51 -42.71 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 37' ' ' LEU . 91.6 mt -64.55 -37.87 89.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.132 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.79 -42.72 98.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.849 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 32' ' ' THR . 67.6 t -63.56 -38.36 82.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' CH2' ' A' ' 69' ' ' TRP . 73.5 mt -65.65 -42.27 91.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.284 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -63.42 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.041 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 10.4 t70 -59.81 -56.51 20.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.585 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.439 HH12 ' HA ' ' A' ' 4' ' ' PRO . 2.4 mpt_? -58.98 -40.37 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.482 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.91 -20.77 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.671 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 1.9 tp60 -90.38 -42.23 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 15.7 mmm-85 -68.7 -39.81 80.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.135 0.493 . . . . 0.0 110.162 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -119.17 -178.02 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.465 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 12.5 mptt -88.11 -43.88 11.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.706 ' HB3' ' HZ ' ' A' ' 70' ' ' PHE . 64.6 m-85 -139.47 164.4 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.497 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 40' ' ' ARG . 9.7 mp -84.88 128.92 34.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.722 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -81.39 176.66 9.52 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.724 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.19 -36.04 80.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.427 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -35.42 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.074 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.32 -41.89 72.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.553 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 19.9 ptp -68.33 -34.78 76.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.643 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.83 -32.43 61.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.702 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' ILE . 37.5 tt0 -64.96 -48.38 74.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 109.868 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.39 -44.81 95.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.575 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 p -62.88 -32.24 73.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.065 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.81 88.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.5 mt -72.24 -47.03 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -174.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG2' ' A' ' 33' ' ' GLN . 77.3 mt -86.99 6.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 54.53 57.32 5.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.658 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.6 164.54 24.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.69 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 19.9 t -72.86 141.03 47.94 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.288 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 52' ' ' MET . 56.5 t80 -57.4 -36.05 70.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.4 -40.12 85.61 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.091 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 25.3 mm-40 -67.92 -41.33 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 56' ' ' SER . 79.9 t -68.89 -39.85 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 0.0 110.039 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.44 -44.66 93.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.718 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.0 m -70.3 -43.37 70.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.001 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' HD13 ' A' ' 37' ' ' LEU . 64.0 t90 -60.73 -43.99 97.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.706 ' HZ ' ' HB3' ' A' ' 46' ' ' TYR . 68.1 t80 -61.02 -49.32 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.967 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -66.01 -28.7 69.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.612 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 23.9 t-20 -69.84 -45.65 67.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.219 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 81.9 mm-40 -64.57 -31.72 73.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.12 0.486 . . . . 0.0 110.224 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.33 -41.79 69.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.037 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.612 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 23.0 ptp -72.0 -29.04 63.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.695 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.8 mmtp -61.72 -37.53 84.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.213 0.53 . . . . 0.0 109.834 173.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -75.3 -27.16 59.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.44 -177.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' C ' ' HD2' ' A' ' 78' ' ' LYS . 2.0 tmmm? -67.99 -64.57 0.83 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -144.42 -75.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.504 0.669 . . . . 0.0 110.746 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -167.02 95.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HA ' ' HG3' ' A' ' 75' ' ' MET . 1.4 mp0 58.28 -172.0 0.1 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.532 -166.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -100.17 66.66 1.33 Allowed 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.953 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -115.35 102.77 10.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.949 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.324 -173.398 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 70.91 2.6 4.27 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.233 0.613 . . . . 0.0 112.094 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 59.13 87.11 0.14 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.394 0.434 . . . . 0.0 111.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.42 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 16.6 Cg_exo -67.46 -166.47 0.13 Allowed 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.764 2.309 . . . . 0.0 112.203 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 m 71.84 81.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -143.21 -62.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.897 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.98 -0.89 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.26 3.13 21.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.1 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.33 96.14 0.34 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 p -166.53 102.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.607 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.38 151.84 6.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 57.1 62.94 2.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.557 0.694 . . . . 0.0 109.593 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 56.5 tptt -81.7 -13.52 57.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.857 -172.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.58 46.37 2.47 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 1.5 pm0 -72.63 -25.49 61.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.603 -1.635 . . . . 0.0 110.596 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.44 -168.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.826 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -156.61 129.62 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.75 89.56 38.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.829 -171.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.34 173.12 9.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.352 2.035 . . . . 0.0 110.814 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.57 72.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.195 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.2 tttt 70.44 80.22 0.17 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.223 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -96.43 -49.92 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.119 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -138.19 169.66 17.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.513 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 46.0 mtpt -103.01 98.75 8.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 111.043 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -88.6 101.7 14.22 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -66.15 -69.24 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.021 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -100.4 139.18 36.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -142.45 161.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.645 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' A' ' 33' ' ' GLN . 88.9 m-85 -101.65 173.52 6.38 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . 16.2 m -70.41 154.64 41.67 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -51.69 -46.35 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.228 0.33 . . . . 0.0 110.789 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 11.5 m -58.99 -41.63 88.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.454 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.701 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 6.3 mm100 -67.72 -44.29 77.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.075 0.464 . . . . 0.0 109.833 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.24 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.851 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.06 -46.77 84.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.448 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.636 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 94.7 t -60.14 -42.12 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.56 -46.96 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.775 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -66.79 -44.78 80.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 7.7 t70 -59.14 -48.29 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.143 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 6.2 mpt_? -64.82 -45.92 84.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-85 -69.91 -21.19 63.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.498 . . . . 0.0 111.156 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -74.41 -30.78 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 37.7 mtt180 -90.01 -43.3 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.328 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 78.9 mt-30 -129.01 136.87 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.634 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.92 -43.16 96.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.21 150.05 48.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.522 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.8 148.98 29.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 m -80.83 175.7 10.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.983 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.27 -42.79 83.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.65 -26.87 63.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.182 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -74.87 -43.24 55.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.822 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.5 -38.26 90.4 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.551 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -73.85 -32.98 63.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.804 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 9.4 tp10 -71.64 -38.03 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.52 -46.96 87.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.514 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.3 p -60.37 -37.19 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.532 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.93 -38.62 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 26.4 mt -70.91 -44.21 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.949 0.404 . . . . 0.0 111.22 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 33' ' ' GLN . 3.2 mm? -88.71 4.69 46.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.427 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 t30 60.71 33.2 20.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.53 175.72 5.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.784 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 13.3 t -81.94 143.85 31.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.247 0.546 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -57.26 -36.78 71.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.288 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -71.97 -30.66 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.876 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.784 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 57.1 mt-30 -65.0 -43.83 91.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 91.9 t -71.75 -45.57 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.302 0.572 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -58.43 -44.24 89.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.42 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -74.78 -39.14 61.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -62.71 -49.53 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.58 -42.54 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.291 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 75' ' ' MET . 6.5 tp-100 -65.71 -46.61 78.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.25 -38.76 88.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.622 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.52 -48.61 81.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.402 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -72.23 -25.46 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.034 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.533 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 57.4 mtm -66.91 -42.81 84.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.7 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.44 -35.69 72.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -73.14 -41.1 64.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.585 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HE2' ' HG2' ' A' ' 75' ' ' MET . 62.8 pttt -80.5 -46.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.726 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -142.8 -75.79 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -167.04 174.63 8.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.978 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -86.5 94.67 9.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -90.81 99.05 12.15 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -77.98 -29.23 49.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.718 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.879 -179.219 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.557 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 56.5 p . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.465 0.174 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 66.32 90.37 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.781 0.8 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 6.1 pt20 -103.01 91.24 2.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.18 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 3' ' ' GLN . 30.5 Cg_endo -60.1 119.86 7.31 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.848 2.365 . . . . 0.0 112.184 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -86.96 178.13 7.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -53.54 108.4 0.34 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.296 0.569 . . . . 0.0 111.422 -178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.63 2.68 1.24 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.126 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -86.08 175.57 8.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.661 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -128.91 -168.08 1.87 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.4 t -59.37 104.68 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 0.0 110.769 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG21 HG23 ' A' ' 32' ' ' THR . 33.3 t -75.71 142.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.183 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 179.47 4.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -69.67 -26.5 64.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.505 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -107.11 168.32 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.222 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 1.7 mp0 -56.84 -70.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.441 0.463 . . . . 0.0 112.121 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -110.53 -173.97 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.606 ' HD3' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -87.99 27.82 1.13 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.737 -178.152 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -129.4 72.76 81.94 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -87.51 82.01 1.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.358 2.039 . . . . 0.0 112.8 -172.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.95 23.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.903 0.858 . . . . 0.0 109.018 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -111.48 87.7 2.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.141 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -96.33 39.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.587 177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -79.63 -3.7 48.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.389 -175.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -90.79 82.49 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.13 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 p -88.09 -19.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.712 0.768 . . . . 0.0 109.452 171.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -100.8 135.21 42.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.682 -1.145 . . . . 0.0 108.8 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.78 141.22 45.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.372 0.606 . . . . 0.0 112.113 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.93 -164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.985 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-30 -85.52 175.13 8.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m -72.21 158.56 35.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 p -52.48 -42.54 64.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.45 0.468 . . . . 0.0 111.888 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.613 HG23 HG21 ' A' ' 11' ' ' VAL . 16.5 m -56.66 -50.82 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.571 ' HG2' HD22 ' A' ' 59' ' ' LEU . 25.0 mt-30 -67.58 -39.85 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.707 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.16 -44.3 87.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.08 -41.95 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' THR . 85.1 t -64.38 -44.16 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.061 0.458 . . . . 0.0 110.619 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD13 ' CH2' ' A' ' 69' ' ' TRP . 95.1 mt -61.97 -49.95 74.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.98 -39.86 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 18.0 t70 -59.85 -51.49 69.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -75.17 -28.17 59.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -176.253 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.01 -18.63 63.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 111.002 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -83.57 -49.51 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.9 mmt180 -66.45 -52.66 44.01 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 109.836 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -90.73 -177.96 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.093 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 63.3 mmtt -112.04 -37.54 5.05 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.434 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.4 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 32.2 m-85 -146.99 176.87 9.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.24 137.43 37.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.156 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 p -92.12 179.47 5.57 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.64 -38.04 83.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.672 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.74 -43.67 58.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.911 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.557 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 28.8 mt-30 -62.99 -39.65 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.754 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.37 -38.98 81.92 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -74.07 -40.06 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.614 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 43.9 mt-10 -71.91 -38.44 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.785 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.37 -39.22 89.84 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.928 0.394 . . . . 0.0 110.289 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -52.95 -47.24 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.933 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.86 -40.13 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.7 mt -71.86 -47.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.229 -175.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 33' ' ' GLN . 89.3 mt -78.74 -0.23 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -175.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.17 25.46 13.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.802 0.81 . . . . 0.0 110.205 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.85 173.4 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.915 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 26.3 t -81.46 148.47 29.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 64.5 t80 -61.25 -33.97 74.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.582 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.02 -36.18 79.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.874 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 56.3 mt-30 -68.07 -44.06 77.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.189 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.14 -42.97 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.011 0.434 . . . . 0.0 110.734 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 47.7 tttp -63.79 -50.37 69.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.328 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.9 m -66.24 -36.15 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.203 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.458 ' CH2' HD13 ' A' ' 37' ' ' LEU . 27.7 t90 -64.07 -48.82 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.021 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 54.1 t80 -59.82 -40.8 89.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.433 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.741 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.627 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 11.5 m-80 -79.28 -44.35 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.082 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' PHE . 19.6 pt20 -61.9 -31.03 71.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.509 ' HD3' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -71.24 -44.23 65.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.301 178.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.627 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 21.2 ptp -78.9 -60.98 2.16 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 75' ' ' MET . 16.6 ptpt -88.03 -19.17 27.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -165.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.54 -10.44 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.583 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HE2' ' HB3' ' A' ' 78' ' ' LYS . 38.5 mtpt -66.28 -32.7 74.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.575 0.226 . . . . 0.0 111.316 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -81.66 -28.7 33.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.835 0.35 . . . . 0.0 111.456 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -102.4 97.15 7.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.245 0.545 . . . . 0.0 110.184 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -101.33 23.14 11.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.714 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.9 97.81 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.826 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -134.41 118.29 17.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.461 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.271 -178.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.52 -20.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 53.37 73.33 0.94 Allowed Pre-proline 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 110.588 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.56 -4.83 14.45 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.612 2.208 . . . . 0.0 112.388 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -62.59 96.07 0.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.438 0.637 . . . . 0.0 110.788 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -138.48 8.45 2.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.162 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.08 171.07 11.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.109 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -145.21 98.71 3.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -128.28 174.83 8.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.6 p -121.77 -30.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t 69.01 112.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.733 0.645 . . . . 0.0 111.283 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.57 81.88 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.44 . . . . 0.0 110.944 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -168.18 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.984 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 63.18 -170.72 0.18 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.395 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 66.4 mm-40 -95.77 -35.12 11.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.734 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -78.55 94.67 5.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.846 0.831 . . . . 0.0 110.728 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.9 135.67 34.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.321 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t 56.02 74.28 0.72 Allowed Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 109.809 -172.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.54 111.44 3.15 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.123 2.549 . . . . 0.0 112.826 -174.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 t -112.77 68.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 71.82 149.86 0.09 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.141 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -138.65 -68.8 0.44 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.113 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 58.76 -164.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.951 0.405 . . . . 0.0 111.534 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -165.15 119.61 1.29 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 173.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.546 HG23 ' HD2' ' A' ' 26' ' ' ARG . 15.2 t -85.58 -0.31 54.68 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.495 0.664 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HD2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -169.49 174.44 5.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 175.471 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -77.92 141.35 39.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.318 0.58 . . . . 0.0 111.848 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -152.31 -168.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.451 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.76 128.66 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t -78.25 159.15 28.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.155 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 m -49.88 -40.04 41.52 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 123.622 0.576 . . . . 0.0 110.842 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.64 -53.03 62.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.958 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG2' HD11 ' A' ' 59' ' ' LEU . 48.5 mt-30 -66.39 -37.93 86.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.719 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.18 -47.39 85.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.484 ' SG ' ' HG2' ' A' ' 15' ' ' GLU . 93.8 m -63.54 -36.19 82.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.373 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 77.4 t -61.72 -46.3 96.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.533 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.41 -44.15 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.034 0.445 . . . . 0.0 110.131 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -64.24 -36.42 84.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.58 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -65.01 -46.73 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.864 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 12.2 mmm180 -58.98 -41.69 88.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.566 0.222 . . . . 0.0 110.656 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 28.9 m-85 -74.35 -21.31 59.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.328 0.585 . . . . 0.0 111.372 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -38.21 59.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.573 174.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.8 mmt180 -69.53 -52.95 21.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 75.7 mt-30 -129.14 149.06 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.601 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.73 -39.29 93.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.54 157.58 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.74 147.65 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.329 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 p -89.83 177.97 6.36 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.812 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.3 -36.85 85.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.397 0.618 . . . . 0.0 109.707 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.84 -40.0 69.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.016 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -73.3 -34.08 65.54 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.35 -43.59 90.37 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.041 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.2 -31.79 64.4 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.433 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.9 tt0 -58.5 -53.96 52.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.978 173.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.959 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 63' ' ' TYR . 32.3 m -53.98 -53.14 57.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.243 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.69 -33.1 75.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.0 mt -71.37 -37.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 ' HG2' ' A' ' 33' ' ' GLN . 27.5 tp -92.2 0.04 57.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.1 t30 61.18 29.2 18.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.993 0.902 . . . . 0.0 109.76 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.35 165.44 11.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.403 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -82.04 144.03 31.13 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.447 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 20.3 t80 -53.81 -41.24 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.884 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.33 -26.83 63.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.47 -38.43 59.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.39 -42.25 64.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.282 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -62.23 -50.28 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.2 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.8 m -62.73 -42.4 99.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.656 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 39.8 t90 -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 29.3 t80 -60.87 -42.61 98.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.19 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.482 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 5.3 tp-100 -66.76 -35.64 80.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 0.0 110.432 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 11.8 m-80 -67.85 -50.95 53.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 70' ' ' PHE . 5.0 pp0? -63.21 -30.73 71.82 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 48.0 ttt180 -67.38 -45.06 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.079 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 69.7 mtm -64.81 -37.22 86.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.567 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 35.4 mmtp -61.32 -45.07 95.98 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -74.16 -21.95 59.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.563 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -88.46 -46.01 9.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -81.2 -62.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.642 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -68.67 150.74 47.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.424 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.95 85.18 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 0.0 109.912 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -92.46 -35.93 13.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.287 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t30 63.45 89.44 0.09 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.601 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 C--O 1.252 1.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.7 179.451 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.112 0.482 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.86 113.34 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.288 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 62.5 86.07 0.16 Allowed Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.278 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.48 -168.73 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.852 2.368 . . . . 0.0 112.23 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 p 54.89 104.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 112.816 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -80.61 91.15 5.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.28 -176.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.42 83.63 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.542 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 63.17 68.83 0.6 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.737 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' CG ' ' H ' ' A' ' 10' ' ' SER . 66.9 t30 64.02 -174.09 0.17 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.91 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.408 ' H ' ' CG ' ' A' ' 9' ' ' ASN . 3.6 m -74.09 114.4 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -79.38 108.05 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.192 0.52 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 67.6 167.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.605 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.936 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.5 OUTLIER 63.04 23.53 14.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.875 176.214 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.28 153.69 39.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.87 113.6 3.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -125.4 87.21 2.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.938 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -137.39 100.16 4.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.377 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 20' ' ' VAL . 14.7 t -124.08 85.79 54.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.37 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -80.17 97.41 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.481 2.121 . . . . 0.0 112.543 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG23 HG12 ' A' ' 18' ' ' VAL . 4.1 t -119.12 31.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.821 0.82 . . . . 0.0 109.94 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -114.94 -77.18 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.134 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 76.7 tttt -140.11 106.49 5.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.324 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 19.5 tt0 179.26 78.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.503 0.502 . . . . 0.0 110.455 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.85 98.34 9.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -101.88 152.61 20.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.493 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -66.59 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.393 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.75 143.69 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 0.0 111.088 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 m -153.94 171.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.841 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.98 148.93 21.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -75.22 154.54 37.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -61.72 -28.95 69.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -72.63 -46.75 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.753 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' ' 59' ' ' LEU . 48.7 mt-30 -63.68 -39.64 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.63 -34.34 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.73 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.56 -37.8 80.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 110.531 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.44 -43.43 81.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.154 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 27.9 t-20 -65.71 -43.53 88.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.72 -41.65 74.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HE ' HD13 ' A' ' 55' ' ' LEU . 1.2 mpt_? -55.28 -48.8 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.9 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.41 -21.64 59.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.043 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 12.4 mm100 -86.28 -24.93 25.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 111.575 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.599 ' HA ' ' HE ' ' A' ' 43' ' ' ARG . 2.4 mmp_? -85.9 -43.13 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.705 0.288 . . . . 0.0 110.456 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -128.27 144.53 51.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 20.7 ptmt -63.68 -24.02 67.61 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.308 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -147.79 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 47' ' ' LEU . 2.4 pp -107.65 128.13 54.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.324 0.583 . . . . 0.0 110.422 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -82.98 -174.54 5.34 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.259 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.02 -34.44 75.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.62 0.724 . . . . 0.0 109.237 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -29.22 62.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.057 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -75.54 -44.7 42.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.862 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB3' HD13 ' A' ' 47' ' ' LEU . 23.9 ptp -60.15 -38.77 84.16 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.29 -37.17 66.32 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.342 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 39.9 tt0 -64.0 -44.76 91.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.144 0.497 . . . . 0.0 109.937 175.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD13 ' HE ' ' A' ' 40' ' ' ARG . 50.1 tp -58.62 -46.13 87.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.874 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.3 m -52.78 -48.81 66.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.034 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -61.66 -33.76 74.53 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.745 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 14.2 mt -72.31 -39.58 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.0 111.442 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 33' ' ' GLN . 3.4 mm? -95.23 1.98 54.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.398 -175.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 36.99 18.44 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mp -107.95 168.97 8.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.347 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 42.5 t -84.81 137.97 32.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.283 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.66 -33.43 66.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.059 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.76 -37.83 76.55 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.958 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 84.4 mm-40 -68.85 -46.33 68.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -40.41 86.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 111.053 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.203 0.525 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -71.44 -34.19 70.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.685 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -56.92 -48.66 77.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.48 -41.04 88.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.096 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -67.33 -33.17 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 16.1 m-80 -74.3 -45.14 49.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.13 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.48 -40.08 93.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 74' ' ' ARG . 30.5 ttt180 -55.08 -49.97 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 176.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.28 -36.46 66.32 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.231 -172.66 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 19.9 ptmt -85.54 -20.84 29.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.907 -175.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.3 m -65.55 -35.99 82.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.09 175.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -76.21 -64.8 1.02 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.95 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -145.59 -69.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -167.2 -177.45 3.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -70.32 108.24 4.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.118 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 1.6 ptmt -79.97 108.89 13.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.327 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.16 22.84 14.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.902 0.858 . . . . 0.0 109.383 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.4 t30 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.856 177.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 5.5 m . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.542 0.211 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HG2' ' OE1' ' A' ' 3' ' ' GLN . 34.7 ttpt 174.56 -50.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' OE1' ' HG2' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -126.93 86.1 59.56 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.81 -55.87 2.08 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.473 2.116 . . . . 0.0 112.332 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 6' ' ' SER . 0.2 OUTLIER 55.15 -164.67 0.12 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.083 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' H ' HG22 ' A' ' 5' ' ' THR . 8.2 t -175.29 103.91 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.101 0.409 . . . . 0.0 111.026 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.76 82.39 0.09 Allowed 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.705 0.628 . . . . 0.0 111.649 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.04 101.26 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.569 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.56 20.75 12.25 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.734 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.3 p -136.35 39.07 2.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.386 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.11 108.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.277 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.32 148.41 44.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.724 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp 65.26 97.49 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.002 0.814 . . . . 0.0 111.164 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 pttp -135.65 160.39 38.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.25 100.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.106 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -138.96 158.5 44.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.55 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mppt? 58.77 61.03 2.29 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.382 0.426 . . . . 0.0 110.71 -173.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -116.26 87.13 18.92 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.891 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.15 -171.93 1.02 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.628 2.219 . . . . 0.0 112.487 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.7 t 63.18 88.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.458 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -162.71 30.27 0.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.42 -32.98 64.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.257 0.551 . . . . 0.0 110.166 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -115.67 107.42 15.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.879 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.73 92.85 5.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.101 0.477 . . . . 0.0 110.011 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 t -105.34 -5.22 20.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.358 0.599 . . . . 0.0 109.943 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -138.61 161.91 35.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.262 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.19 162.13 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 0.0 111.169 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.4 m -142.84 168.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.844 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -92.26 163.42 13.91 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -75.24 154.18 37.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -58.13 -38.81 77.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.06 0.457 . . . . 0.0 110.14 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.6 m -60.66 -48.16 83.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.526 ' HG2' HD22 ' A' ' 59' ' ' LEU . 55.1 mt-30 -60.98 -47.88 84.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.27 -43.98 92.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.703 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 36.4 t -61.93 -45.4 93.84 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.489 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.637 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 73.5 t -60.71 -44.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.752 -0.203 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 110.713 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -66.78 -41.49 87.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.634 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 1.1 m-20 -68.18 -31.56 71.19 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.428 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -62.39 -40.72 97.39 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.771 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.99 -28.3 57.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -83.12 -50.04 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.6 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.2 mmt180 -77.9 -38.98 44.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.429 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 mp0 -102.16 -178.91 3.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 41.0 tptt -90.93 -52.88 4.63 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.85 176.57 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.738 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 40' ' ' ARG . 7.3 mp -102.81 129.62 49.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.95 177.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.7 p -83.15 -177.36 6.73 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.32 -29.59 69.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.046 0.451 . . . . 0.0 110.093 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.83 -45.85 33.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.169 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.33 -34.86 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.537 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.8 ptp -66.66 -43.24 85.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.023 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 20.4 pt20 -73.97 -36.69 64.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.24 0.543 . . . . 0.0 110.168 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 58' ' ' ILE . 22.1 tt0 -63.38 -38.04 89.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.14 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 36' ' ' VAL . 32.5 tp -80.08 -37.47 33.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.383 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.413 ' HB3' HG21 ' A' ' 66' ' ' VAL . 80.2 p -57.55 -33.06 67.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.563 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -70.15 -35.44 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' GLU . 22.9 mt -72.02 -47.31 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.006 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 33' ' ' GLN . 97.4 mt -82.49 4.99 22.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.483 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 56.52 64.05 1.79 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.832 0.825 . . . . 0.0 110.072 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -137.31 171.28 14.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.458 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.753 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.8 t -86.29 146.91 26.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.482 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 29.1 t80 -57.51 -36.83 72.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -71.02 -35.33 71.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.11 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.753 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 15.9 mm100 -65.87 -44.79 84.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.268 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 56' ' ' SER . 72.3 t -72.94 -38.28 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.646 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.537 ' HG2' ' SD ' ' A' ' 52' ' ' MET . 3.6 tmtm? -58.37 -45.97 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.279 0.562 . . . . 0.0 109.747 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.4 m -63.96 -49.24 73.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.09 -44.22 97.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.0 -47.81 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.809 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -69.21 -42.41 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.579 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 19.5 t-20 -63.91 -50.3 69.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.77 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -59.65 -38.61 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -67.45 -48.95 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 24.8 ptm -70.34 -37.89 74.76 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.827 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -80.09 -27.3 39.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.074 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.2 t -74.24 -24.26 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 110.019 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 6.3 mmmt -73.98 -29.65 62.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.714 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -91.9 -51.68 5.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -115.99 101.6 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.071 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.15 87.57 7.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.017 0.436 . . . . 0.0 110.433 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -87.73 -19.95 26.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.01 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.94 173.68 11.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.941 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.101 176.803 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -142.98 25.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 0.0 109.446 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 12.8 mm-40 -139.18 88.59 12.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.034 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.694 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.9 Cg_endo -66.84 -3.72 9.96 Favored 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 123.616 2.877 . . . . 0.0 113.486 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 4' ' ' PRO . 40.2 m 73.83 103.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.574 0.546 . . . . 0.0 110.288 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -126.95 124.73 40.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.058 0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.35 -62.23 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.297 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.27 31.44 11.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.112 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -126.74 132.36 51.12 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.94 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.3 t 73.7 -50.57 0.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.688 0.795 . . . . 0.0 112.815 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.23 83.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.192 0.52 . . . . 0.0 111.776 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.99 77.33 1.05 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.79 -23.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.029 -169.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.99 72.83 0.51 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 64.3 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.903 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.69 117.71 12.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.56 75.04 6.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.208 0.528 . . . . 0.0 109.713 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 18' ' ' VAL . 5.7 p -133.67 86.26 39.81 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 121.851 0.834 . . . . 0.0 111.379 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -90.52 84.04 0.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.708 2.272 . . . . 0.0 112.036 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 t -134.83 59.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HB3' ' H ' ' A' ' 22' ' ' LYS . 88.8 mttt 59.7 -163.93 0.22 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.797 -173.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 3.3 tmtp? 63.6 67.82 0.62 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.675 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.28 138.3 57.54 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.79 ' HD2' ' H ' ' A' ' 24' ' ' LYS . 2.7 mptp? -68.75 94.06 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -87.5 84.66 7.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.864 -168.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -172.38 -179.88 2.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -76.55 134.09 39.53 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.308 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 m -155.35 177.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.026 -173.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' H ' HD21 ' A' ' 34' ' ' LEU . 38.5 m-85 -105.53 176.48 5.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.4 m -62.87 154.6 29.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 m -52.67 -35.21 54.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 111.233 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -61.92 -43.86 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.039 178.073 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -75.38 -40.74 57.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD21 ' H ' ' A' ' 29' ' ' PHE . 97.5 mt -58.13 -37.84 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.662 175.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.9 -40.28 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 32' ' ' THR . 59.9 t -64.52 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.565 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 55' ' ' LEU . 94.7 mt -60.85 -44.72 96.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 23.8 t-20 -64.14 -36.73 85.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.508 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.3 t70 -55.16 -50.33 69.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -38.87 79.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.7 -20.79 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 27.2 mm-40 -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.883 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 26.8 mmt180 -73.56 -37.77 65.43 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 110.836 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.44 161.91 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.925 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.93 -40.49 95.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 0.0 109.839 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.896 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 61.0 m-85 -143.2 147.62 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.308 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 52' ' ' MET . 1.4 pp -79.93 146.43 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.42 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -79.35 178.79 7.83 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.615 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 3.3 tm? -63.94 -38.69 92.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.073 -177.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.36 -29.51 65.06 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.749 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 57.7 mt-30 -76.01 -45.19 35.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.691 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.565 ' HB3' HD13 ' A' ' 47' ' ' LEU . 21.9 ptp -58.36 -45.26 88.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 11.4 pt20 -69.82 -35.24 74.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.549 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.7 tt0 -60.15 -54.03 50.76 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.012 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 HD23 ' A' ' 37' ' ' LEU . 46.7 tp -60.05 -41.39 92.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.314 -176.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 m -55.71 -53.4 57.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.535 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.96 -35.33 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.694 HD13 ' HB3' ' A' ' 4' ' ' PRO . 21.1 mt -81.17 -41.86 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.022 -175.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.2 tp -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.563 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.1 t30 62.62 32.96 16.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.697 0.76 . . . . 0.0 110.555 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -113.8 162.97 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.778 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 33.2 t -79.95 146.93 31.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.016 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 40.4 t80 -53.32 -37.35 62.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.584 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -66.6 -39.41 88.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.831 0.348 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 79.0 mt-30 -65.31 -44.79 86.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.509 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.97 -41.61 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.928 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 2.9 tmtp? -66.18 -40.66 90.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -69.71 -38.67 77.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.69 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.218 0.533 . . . . 0.0 109.717 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.896 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 2.7 t80 -58.8 -51.68 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.205 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 4.3 tp-100 -65.59 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.927 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.7 t-20 -71.0 -51.96 22.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.338 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 60.3 ttt180 -64.59 -47.15 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.503 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 20.9 ptp -78.71 -6.75 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 69.6 mmtt -69.93 -57.9 4.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.768 0.318 . . . . 0.0 111.471 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 m -66.85 -32.73 74.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.466 -170.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -73.98 -12.89 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.802 0.334 . . . . 0.0 111.729 -173.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' MET . 78.9 mtt180 -77.49 -15.23 59.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.601 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.49 137.92 40.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.331 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 60.38 34.69 20.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.197 0.522 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -58.77 125.06 21.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.119 -176.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -107.06 109.42 21.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.282 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.375 -176.669 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.758 0.313 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.83 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -165.92 95.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 68.51 87.36 0.11 Allowed Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.918 0.762 . . . . 0.0 109.558 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.72 ' HB2' HD11 ' A' ' 58' ' ' ILE . 47.9 Cg_endo -66.19 -19.88 56.42 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.657 2.905 . . . . 0.0 114.142 -166.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 t -79.59 -172.95 3.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m 67.67 87.33 0.12 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.593 -176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.02 -175.93 2.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.608 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -153.21 178.71 9.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.495 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 59.7 t30 70.43 71.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.819 0.699 . . . . 0.0 110.652 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m 71.29 -60.0 0.53 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.597 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 12' ' ' ALA . 17.0 t 68.44 161.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.182 0.593 . . . . 0.0 109.999 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' HG12 ' A' ' 11' ' ' VAL . . . 67.82 -161.21 0.22 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.793 0.437 . . . . 0.0 110.516 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.65 -163.96 0.17 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.389 0.431 . . . . 0.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 24.4 mmmt -95.57 164.62 12.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.047 0.451 . . . . 0.0 112.17 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.9 mp0 -58.12 161.16 4.33 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.762 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.3 103.71 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.0 mptt 69.63 99.99 0.06 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.985 -178.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -106.09 88.52 3.13 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.882 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 73.2 Cg_endo -88.99 124.3 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.825 2.35 . . . . 0.0 113.686 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 22' ' ' LYS . 94.9 t 65.08 101.39 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.509 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -85.82 114.34 22.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.325 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 20' ' ' VAL . 28.9 mtpp -129.24 101.53 6.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -95.08 84.44 4.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.387 0.613 . . . . 0.0 111.869 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -90.19 158.55 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.382 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -85.95 72.75 10.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.685 0.755 . . . . 0.0 110.167 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -124.13 170.38 10.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.758 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -88.09 136.76 32.82 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.003 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.18 -175.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.464 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.73 149.57 24.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -76.9 154.82 33.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.022 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -61.13 -32.21 71.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.797 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.4 m -60.71 -49.55 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.751 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.33 -49.54 71.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.13 -44.67 79.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.746 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.0 t -60.32 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.606 0.241 . . . . 0.0 111.267 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.54 -39.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.959 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.15 -41.8 99.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.344 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.2 -48.52 75.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.961 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.19 -53.11 61.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -63.42 -42.96 98.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.512 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 10.7 m-85 -73.92 -20.46 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -88.33 -23.49 23.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.74 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HG3' ' HG3' ' A' ' 44' ' ' GLN . 12.6 ptm180 -98.8 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 111.169 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 93.2 mt-30 -134.67 158.32 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -70.25 -52.59 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.484 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -149.92 165.25 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.61 149.11 22.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.607 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 p -87.76 177.35 7.04 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.54 -32.53 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -74.74 -39.36 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.218 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -75.29 -32.85 61.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.001 -175.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 ptp -67.44 -39.19 85.4 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.533 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.502 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 11.5 pt20 -74.31 -33.49 63.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.475 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' ' 4' ' ' PRO . 43.3 tt0 -66.78 -36.94 83.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.503 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.02 -45.01 71.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.976 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.48 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 11.9 p -59.94 -30.03 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.759 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -67.33 -33.77 75.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.764 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.72 HD11 ' HB2' ' A' ' 4' ' ' PRO . 18.3 mt -71.15 -46.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.336 0.588 . . . . 0.0 110.606 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.27 1.6 44.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.758 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 t30 59.44 40.41 20.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.871 0.843 . . . . 0.0 109.764 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.09 -177.39 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -93.49 146.73 23.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.846 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 14.4 t80 -56.74 -38.27 72.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.027 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -71.79 -32.07 67.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.3 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -67.67 -46.32 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 86.7 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.472 0.653 . . . . 0.0 110.552 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 46.1 tttp -61.77 -43.41 98.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.222 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -65.02 -40.05 94.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.459 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 2.5 t90 -65.83 -39.46 90.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 109.663 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.51 -44.92 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.291 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 50.2 mt-30 -67.69 -31.01 70.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.424 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.5 m-80 -73.82 -40.62 63.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.83 -35.07 77.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.294 0.569 . . . . 0.0 109.879 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -40.86 69.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.301 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.493 ' HG3' ' HA ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.19 -22.48 60.46 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.234 -0.587 . . . . 0.0 111.408 -176.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.1 mmtp -61.39 -43.35 99.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 111.052 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -81.67 -20.17 40.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.924 -174.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.77 -41.72 15.88 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.203 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.633 ' HB3' ' HD1' ' A' ' 80' ' ' TRP . 7.6 mmm180 -129.78 -77.19 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 0.0 111.319 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.633 ' HD1' ' HB3' ' A' ' 79' ' ' ARG . 1.4 p-90 175.17 -162.97 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -173.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -61.53 92.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 111.512 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 72.99 174.16 0.29 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.627 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.467 ' CG ' ' H ' ' A' ' 84' ' ' ASN . 66.6 t30 -136.49 -166.54 1.91 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -173.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.467 ' H ' ' CG ' ' A' ' 83' ' ' ASN . 50.0 t-20 . . . . . 0 C--O 1.247 0.96 0 C-N-CA 123.477 0.711 . . . . 0.0 110.5 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.693 0.282 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.657 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 73.6 mmtt -75.26 159.72 31.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -101.0 88.61 1.07 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.657 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 19.4 Cg_exo -64.28 91.36 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.559 2.173 . . . . 0.0 112.436 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.687 ' HA ' HG21 ' A' ' 58' ' ' ILE . 24.4 m -89.82 115.27 27.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.331 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -84.89 83.43 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.927 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.98 -173.34 0.17 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.731 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -134.29 92.51 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -126.07 137.54 53.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.54 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -78.76 123.65 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.242 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t 70.67 106.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 O-C-N 123.924 0.765 . . . . 0.0 111.512 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.31 98.02 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.244 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -106.88 95.22 5.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.175 -175.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 60.93 -168.17 0.18 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.307 174.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 2.0 mp0 -62.61 -46.67 87.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.49 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 72.02 1.63 3.99 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 30.0 mmtp 65.17 -173.56 0.18 Allowed 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.594 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.89 HG12 ' HD3' ' A' ' 21' ' ' LYS . 12.8 t -114.99 87.72 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.977 -172.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 8.4 Cg_exo -72.32 132.67 19.66 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.413 2.742 . . . . 0.0 113.423 -175.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.604 ' O ' ' HD2' ' A' ' 21' ' ' LYS . 49.1 t 59.58 70.34 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.556 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.89 ' HD3' HG12 ' A' ' 18' ' ' VAL . 12.6 mptt -130.9 -171.16 2.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.457 172.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -70.82 -78.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -158.92 104.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -138.65 166.91 23.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.92 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 p -74.57 -176.33 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -169.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.733 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -71.92 -37.22 70.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.363 -174.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.2 p -129.37 137.24 50.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.487 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -155.82 171.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.667 -1.151 . . . . 0.0 108.901 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -101.22 144.93 29.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -69.08 154.57 41.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.371 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -60.53 -38.1 83.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.969 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.2 p -68.0 -44.85 75.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.793 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -49.15 78.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.801 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.99 -41.03 86.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -61.29 -51.96 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.592 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 92.2 t -58.76 -46.72 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.495 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.814 ' HA ' ' HE ' ' A' ' 40' ' ' ARG . 98.9 mt -56.55 -53.66 54.96 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.46 -32.82 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 -173.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.41 -57.6 12.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.514 0.197 . . . . 0.0 111.452 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.971 HH22 ' HG ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.33 -23.89 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.078 -177.806 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.447 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 3.9 m-85 -68.85 -20.55 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.374 172.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.31 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.319 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 21.6 mmt180 -74.04 -23.51 59.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.884 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -127.39 -178.06 4.31 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -83.0 -52.83 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -152.38 -174.74 5.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 70' ' ' PHE . 96.5 mt -74.54 123.92 25.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.232 175.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -75.11 172.06 13.03 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -65.15 -41.36 94.8 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.585 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -71.46 -39.97 70.61 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.274 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -59.29 -45.14 92.07 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.81 -43.06 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.47 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -73.56 -35.68 65.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 58' ' ' ILE . 2.1 tp10 -64.5 -54.09 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.856 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.971 ' HG ' HH22 ' A' ' 40' ' ' ARG . 2.6 tm? -59.32 -42.74 92.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.975 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.1 t -53.19 -52.91 57.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.468 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.15 -34.91 79.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 5' ' ' THR . 13.6 mt -80.2 -36.94 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 tp -87.05 0.27 55.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.479 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 65.86 32.11 8.93 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.122 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.94 -177.18 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -99.14 144.27 28.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -61.73 -30.66 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.923 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.73 -44.46 90.09 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.284 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.5 -46.39 79.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -42.54 90.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.04 0.448 . . . . 0.0 110.897 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.39 -44.41 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.501 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.7 m -65.53 -37.73 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.24 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 76.1 t90 -63.68 -41.34 98.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 47' ' ' LEU . 48.9 t80 -58.87 -43.32 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.814 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -64.87 -42.32 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.687 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 35.9 t-20 -65.58 -44.95 85.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.085 -176.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -56.86 -43.18 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.501 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -71.59 -39.09 70.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.687 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 19.5 ptp -72.98 -13.67 61.28 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.5 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 73.2 mmtt -49.93 -47.41 52.43 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -61.75 -31.52 71.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.42 -28.86 13.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.523 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -102.9 -8.4 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.745 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 60.7 t90 -141.57 120.04 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -131.81 4.8 4.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.572 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 58.6 78.66 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.231 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -102.76 74.04 1.32 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.391 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.245 0.837 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.379 -177.592 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 62.74 -162.96 0.27 Allowed 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.059 0.224 . . . . 0.0 110.812 -175.007 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 6' ' ' SER . 9.1 pt20 43.84 70.46 1.87 Allowed Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 124.19 0.996 . . . . 0.0 113.178 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.7 -28.1 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.205 1.936 . . . . 0.0 111.578 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -114.47 -21.94 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.122 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 33.6 t -83.31 96.34 8.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.88 3.29 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 58.59 83.94 0.11 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.656 0.741 . . . . 0.0 109.798 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.616 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 6.1 p-10 -108.54 128.59 54.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.466 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 12' ' ' ALA . 8.1 t -148.74 169.44 20.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t 73.64 -16.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.586 0.708 . . . . 0.0 111.062 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 10' ' ' SER . . . -105.37 35.27 2.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.542 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 37.2 ttpt -56.04 -39.64 72.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.816 -178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 13' ' ' LYS . 36.0 mtmt -157.03 -177.71 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.674 175.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.01 111.02 6.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 17' ' ' LYS . 5.3 t70 61.11 -154.7 0.36 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.925 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' H ' ' CG ' ' A' ' 16' ' ' ASP . 7.3 tmtm? -84.85 23.49 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.498 0.666 . . . . 0.0 109.817 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t 49.58 84.71 0.2 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.729 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.65 111.58 3.33 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.443 2.096 . . . . 0.0 111.871 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -109.46 74.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.338 0.59 . . . . 0.0 110.556 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -111.91 -85.64 0.56 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.592 174.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.95 97.17 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -119.23 96.54 5.27 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.528 0.68 . . . . 0.0 111.323 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -124.8 71.31 1.16 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.036 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 p -79.92 126.31 30.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.812 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 26' ' ' ARG . 22.3 ttt180 -60.01 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -139.54 139.24 36.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 0.0 111.269 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -151.36 -168.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.924 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' HD2' ' NE2' ' A' ' 33' ' ' GLN . 96.9 m-85 -86.75 156.39 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.9 m -69.84 160.59 31.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.482 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.8 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.27 0.356 . . . . 0.0 110.943 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -42.24 92.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.374 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HG2' HD22 ' A' ' 59' ' ' LEU . 19.5 mt-30 -65.32 -50.46 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.622 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.61 -43.94 93.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.349 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.22 -52.01 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.174 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.11 -47.2 83.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.648 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.68 -40.38 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.655 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -60.55 -48.1 83.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.475 177.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -66.74 -34.67 78.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.774 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -69.74 -22.0 63.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.58 -28.6 28.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.112 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 18.5 mmt180 -79.43 -53.79 6.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.149 0.5 . . . . 0.0 110.192 177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -112.83 158.85 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.637 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.66 -48.23 80.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.282 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -149.57 176.09 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.667 0.27 . . . . 0.0 110.419 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.98 137.39 32.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.291 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.2 m -79.38 174.46 11.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.797 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.98 -41.84 97.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.45 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -75.07 -26.95 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.122 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -76.23 -37.19 58.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.113 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.12 -39.76 90.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -73.49 -31.88 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.115 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.1 tp10 -62.06 -53.84 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.287 175.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -35.14 74.44 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -53.68 -48.03 69.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.137 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.39 -34.85 75.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.03 0.443 . . . . 0.0 110.531 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 54' ' ' GLU . 27.7 mt -72.99 -43.65 58.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.153 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 33' ' ' GLN . 79.0 mt -90.11 6.62 41.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.569 -174.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.96 29.48 14.41 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.796 0.807 . . . . 0.0 110.684 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.66 -178.64 3.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.791 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 t -104.66 150.84 24.36 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.97 -35.31 69.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -61.4 -40.46 94.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.322 0.582 . . . . 0.0 109.74 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.19 -45.51 63.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.16 -40.67 75.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.346 -174.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -70.4 -42.96 70.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.3 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 110.777 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -62.2 -49.31 76.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.999 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -58.68 -40.56 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.153 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.33 -45.49 94.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.871 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.81 -42.5 66.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.025 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -56.51 -49.71 73.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.098 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.51 -38.72 87.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 61.6 mtm -63.51 -47.05 83.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.463 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 39.9 mtmt -75.13 -28.81 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.455 -176.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -77.6 -28.54 51.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.324 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -91.07 -57.36 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.889 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -82.28 -76.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 0.0 111.408 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 16.3 p90 -172.19 171.4 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.082 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -71.33 93.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.194 0.521 . . . . 0.0 111.511 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -83.1 78.7 9.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.508 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -94.23 175.61 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.87 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.766 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 62.49 -168.82 0.19 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.92 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 29.3 pt20 -90.98 141.64 26.73 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.052 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 3' ' ' GLN . 24.4 Cg_endo -97.99 80.54 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 123.795 2.997 . . . . 0.0 111.981 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -111.99 123.55 50.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -71.36 127.22 31.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.799 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.61 -17.37 16.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -79.26 95.16 5.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.255 0.55 . . . . 0.0 111.885 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -89.84 12.24 17.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.604 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.27 -11.09 55.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.66 -178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.2 98.83 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.918 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.49 93.58 9.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 46.15 -168.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.486 1.116 . . . . 0.0 111.978 -171.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.807 ' HG2' ' H ' ' A' ' 15' ' ' GLU . 53.6 tttm 62.94 -155.2 0.34 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.807 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -127.17 -58.52 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.996 0.427 . . . . 0.0 110.745 178.281 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.92 151.93 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.274 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -87.66 24.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.297 0.57 . . . . 0.0 111.516 -172.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.37 86.67 56.77 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.754 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.686 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 40.2 Cg_endo -95.8 84.71 0.1 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.303 2.669 . . . . 0.0 111.892 175.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 44.1 t -123.96 77.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 111.334 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 23.9 ttmm 175.71 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.948 172.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -154.88 -86.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -151.51 -171.52 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.299 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -100.9 137.32 39.44 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 t -93.28 13.72 20.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.675 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -132.36 163.4 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -70.01 142.06 52.83 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.32 0.388 . . . . 0.0 110.543 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.18 -174.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.183 0.516 . . . . 0.0 111.505 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -86.17 173.46 9.8 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.076 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.6 t -72.62 152.42 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -59.85 -38.87 83.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.634 0.254 . . . . 0.0 110.387 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.9 m -58.16 -44.86 88.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' HD22 ' A' ' 59' ' ' LEU . 74.6 mt-30 -68.24 -45.91 71.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.156 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 94.4 mt -56.93 -46.06 82.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.754 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.28 -47.02 87.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' THR . 98.3 t -64.26 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.91 -46.39 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -68.74 -36.89 78.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.521 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.673 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.4 t70 -65.03 -44.68 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.182 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HG2' HD21 ' A' ' 55' ' ' LEU . 2.4 tpt180 -58.62 -47.61 83.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.733 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 28.9 m-85 -67.59 -22.87 65.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.115 0.483 . . . . 0.0 111.39 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.43 -23.71 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 19.4 mmt180 -90.97 -43.46 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 64.3 tt0 -136.04 136.51 40.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -62.72 -26.95 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -171.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -135.23 164.01 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.046 0.45 . . . . 0.0 111.2 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.78 137.93 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.71 174.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -83.76 -176.29 6.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.02 0.438 . . . . 0.0 110.231 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.57 -39.8 94.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.535 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -76.7 -29.2 56.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 54' ' ' GLU . 25.9 mt-30 -76.94 -30.06 55.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.59 -36.78 70.96 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.858 -0.526 . . . . 0.0 110.635 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.64 -31.62 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 173.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 26.7 tt0 -58.95 -55.07 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.618 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 40' ' ' ARG . 1.7 mm? -64.32 -37.44 87.49 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.3 p -61.29 -45.77 93.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.019 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.59 -32.21 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.68 0.276 . . . . 0.0 111.503 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 24.3 mt -70.56 -53.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.977 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 33' ' ' GLN . 47.5 mt -83.5 8.47 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.461 -171.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t30 63.71 36.68 10.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.793 0.806 . . . . 0.0 110.25 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.8 -177.6 3.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.381 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.4 t -107.11 148.66 28.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.8 -42.25 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.034 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.41 -40.3 96.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.58 -34.19 64.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.336 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' A' ' 56' ' ' SER . 74.0 t -76.75 -38.62 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.043 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -63.34 -42.36 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.191 0.52 . . . . 0.0 110.069 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.3 m -70.04 -38.43 75.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.389 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -61.46 -45.47 94.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 85.9 t80 -57.55 -46.53 83.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.665 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -68.71 -36.29 78.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.75 -47.43 78.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.28 0.562 . . . . 0.0 109.914 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -63.08 -42.65 99.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.108 0.48 . . . . 0.0 109.974 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -66.85 -44.39 81.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.128 -177.123 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.2 ptp -67.27 -32.85 74.14 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.208 -176.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 35.5 mtmm -70.62 -20.21 62.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.58 -49.66 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -23.25 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.258 -177.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -134.77 37.31 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.456 ' CE3' ' HB3' ' A' ' 76' ' ' LYS . 27.0 t-105 -47.2 122.73 4.76 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.868 0.366 . . . . 0.0 110.963 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -152.43 135.45 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.851 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.532 ' HE2' ' OD1' ' A' ' 84' ' ' ASN . 47.1 mtpt 65.14 -173.05 0.18 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.698 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -160.32 -68.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.71 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.532 ' OD1' ' HE2' ' A' ' 82' ' ' LYS . 15.9 m120 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.856 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 50' ' ' GLN . 32.2 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.08 -45.54 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 59.07 80.0 0.29 Allowed Pre-proline 0 CA--C 1.536 0.415 0 O-C-N 123.797 0.686 . . . . 0.0 111.232 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.38 -55.46 2.8 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.054 2.503 . . . . 0.0 113.019 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 5' ' ' THR . 9.7 m 66.85 8.62 6.16 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.433 0.635 . . . . 0.0 111.573 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -71.98 -24.21 61.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.695 -176.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' VAL . . . -89.54 76.85 7.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.015 0.436 . . . . 0.0 110.457 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -85.2 -49.42 8.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.31 23.58 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.4 m 70.34 -4.78 1.5 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.955 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 7' ' ' ALA . 19.6 m 44.96 -165.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.791 1.236 . . . . 0.0 113.664 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' HB1' ' HE2' ' A' ' 14' ' ' LYS . . . -106.89 133.19 51.92 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.001 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -95.07 26.71 3.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.701 0.762 . . . . 0.0 111.199 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE2' ' HB1' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.55 35.19 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 168.181 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -58.92 -64.13 1.05 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.678 -1.601 . . . . 0.0 113.423 -171.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.472 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 24.8 t70 -110.68 -12.43 14.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HA ' ' OG ' ' A' ' 31' ' ' SER . 0.4 OUTLIER 45.11 101.87 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.004 -1.453 . . . . 0.0 114.085 177.753 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.5 t -118.5 78.72 15.03 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.104 170.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -98.94 153.03 0.65 Allowed 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.257 2.638 . . . . 0.0 113.918 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.9 t 43.79 84.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.01 -0.995 . . . . 0.0 113.11 170.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -107.51 -56.65 2.19 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 64.52 -11.08 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.42 -36.64 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -80.39 93.77 6.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.2 t -70.34 78.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.063 0.935 . . . . 0.0 111.728 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' THR . 15.9 mmt180 -163.85 -164.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.228 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -63.31 147.22 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.93 165.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.275 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -115.67 172.0 7.4 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.067 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -81.65 167.58 19.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.641 ' OG ' ' HA ' ' A' ' 17' ' ' LYS . 46.7 t -55.46 -56.04 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.058 0.224 . . . . 0.0 111.321 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 36' ' ' VAL . 23.3 m -55.97 -40.01 72.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.285 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG2' HD22 ' A' ' 59' ' ' LEU . 57.4 mt-30 -59.5 -48.97 79.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.605 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -40.46 92.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 78.6 m -60.74 -43.13 98.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.96 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.604 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 88.4 t -66.14 -41.06 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.833 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 96.0 mt -57.04 -46.42 82.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.274 0.559 . . . . 0.0 110.076 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.597 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 46.2 t30 -64.29 -43.48 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.114 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.567 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 7.2 t70 -55.24 -47.23 75.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.604 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -53.18 -48.43 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 178.079 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 26.0 m-85 -73.85 -22.13 59.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 26.9 mm-40 -73.06 -46.88 49.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.997 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.1 mmt180 -72.08 -37.31 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 0.0 110.299 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -140.9 135.73 31.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.437 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HE2' ' CE2' ' A' ' 46' ' ' TYR . 20.9 ptmt -64.55 -22.59 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HE2' ' A' ' 45' ' ' LYS . 44.9 m-85 -137.91 168.24 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.644 0.259 . . . . 0.0 110.349 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 70' ' ' PHE . 92.6 mt -90.05 127.79 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -86.24 177.71 7.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.908 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.94 -35.9 81.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.586 0.708 . . . . 0.0 109.437 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 22.4 mp0 -73.73 -40.37 63.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.734 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -66.57 -42.06 87.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.422 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.0 ptp -67.6 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.376 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -71.92 -34.28 68.96 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.344 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.5 -50.15 70.76 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.33 -50.94 68.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.676 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.512 ' HB3' HG21 ' A' ' 66' ' ' VAL . 16.3 p -59.78 -37.62 79.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.858 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -73.39 -32.73 64.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 0.0 110.983 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.7 mt -72.52 -44.33 61.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' HG2' ' A' ' 33' ' ' GLN . 38.2 mt -92.15 0.47 57.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.333 -174.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.66 44.54 20.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.002 0.906 . . . . 0.0 110.008 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.3 tp -109.15 168.08 9.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.452 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 26.4 t -76.14 137.11 39.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.32 -34.99 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.559 0.695 . . . . 0.0 109.627 174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -70.59 -38.17 73.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.005 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 28.9 mm-40 -68.16 -42.2 80.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 56' ' ' SER . 98.2 t -64.0 -45.94 95.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.409 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 7.7 tmtt? -61.61 -41.44 97.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.194 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.43 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 91.9 m -72.37 -34.67 68.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.606 -177.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -56.0 27.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.416 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.428 ' HB3' HD12 ' A' ' 47' ' ' LEU . 3.4 p90 -70.82 -32.44 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.665 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 75' ' ' MET . 85.4 mt-30 -65.27 -50.13 66.92 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -65.9 -32.48 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -62.11 -53.36 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.126 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -72.53 -15.77 61.77 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.402 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 71' ' ' GLN . 72.1 mmm -63.01 -49.87 72.93 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -68.26 -36.47 79.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -68.97 -25.68 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.283 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HD3' ' C ' ' A' ' 78' ' ' LYS . 4.0 tmtm? -95.32 -41.54 8.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.748 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.524 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -67.11 -39.77 86.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.226 -176.635 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -87.55 96.36 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -117.58 88.75 2.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.119 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt 67.45 139.51 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.775 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.47 156.15 39.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.057 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.829 -176.567 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 121.149 0.5 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -150.77 -71.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.397 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -170.31 84.62 0.56 Allowed Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.616 ' HG2' HD11 ' A' ' 58' ' ' ILE . 36.4 Cg_endo -66.67 151.59 82.36 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.361 2.041 . . . . 0.0 111.837 -178.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m 74.24 85.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.315 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -106.94 -37.09 6.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.816 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.06 -84.06 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 53.8 32.08 14.26 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.709 0.631 . . . . 0.0 111.804 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -81.42 49.97 1.38 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.91 0.386 . . . . 0.0 111.41 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -87.61 78.01 8.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t 71.13 127.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.015 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.85 91.62 4.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -91.31 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -133.36 173.64 11.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.216 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.5 mp0 -52.94 -62.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.714 0.634 . . . . 0.0 111.371 -176.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' OD1' ' HD2' ' A' ' 17' ' ' LYS . 38.6 t0 -150.94 169.64 21.25 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.7 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.59 179.71 4.16 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.541 -179.042 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t 65.23 85.73 0.15 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 121.374 0.607 . . . . 0.0 109.773 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.75 137.24 78.92 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.117 2.545 . . . . 0.0 112.63 -175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t 55.34 70.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 111.042 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -128.42 28.61 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.995 0.902 . . . . 0.0 108.894 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -141.45 130.66 23.48 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.003 -174.245 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -55.71 123.82 15.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.128 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 16.3 mtpt -73.7 149.41 41.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -168.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 83' ' ' ASN . 24.8 m -102.94 145.8 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 162.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -64.55 -12.59 46.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -125.87 134.71 51.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -149.82 161.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -109.28 174.25 5.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.844 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t -83.75 154.73 23.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.4 m -57.02 -31.75 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.295 0.372 . . . . 0.0 111.562 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m -59.95 -43.52 94.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.033 0.444 . . . . 0.0 110.648 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.549 ' HG2' HD22 ' A' ' 59' ' ' LEU . 77.6 mt-30 -73.68 -40.57 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.64 -46.56 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.113 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.58 -40.31 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.84 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 65.6 t -60.18 -49.0 85.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.581 0.229 . . . . 0.0 110.542 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.27 -47.12 87.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.793 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 51.5 t30 -65.52 -38.92 91.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.1 t70 -61.55 -45.37 94.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.105 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 15.1 mmt180 -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.76 -27.56 66.62 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.021 0.438 . . . . 0.0 111.381 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 15.1 mm100 -82.54 -31.95 28.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.184 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 27.7 mmt180 -74.86 -49.96 18.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.401 0.619 . . . . 0.0 109.489 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' OE1' ' HB2' ' A' ' 43' ' ' ARG . 21.5 mp0 -124.61 134.76 52.82 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.96 -42.95 99.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -138.96 149.85 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.06 142.18 27.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.9 t -83.51 179.58 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.982 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.65 -34.86 79.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.645 -174.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -75.97 -32.13 59.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.167 0.508 . . . . 0.0 110.154 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -75.25 -32.54 61.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.862 -174.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptp -67.09 -40.55 86.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.006 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' SER . 8.8 pt20 -74.17 -32.02 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.054 175.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 58' ' ' ILE . 34.7 tt0 -58.95 -48.77 80.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.043 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -37.14 81.07 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 37.0 t -51.95 -41.87 62.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.341 176.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.98 -33.22 73.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.616 HD11 ' HG2' ' A' ' 4' ' ' PRO . 25.3 mt -69.32 -38.78 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.316 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.549 HD22 ' HG2' ' A' ' 33' ' ' GLN . 69.9 mt -97.3 5.64 49.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.196 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 54.23 45.86 26.45 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.921 0.867 . . . . 0.0 110.129 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.55 -176.88 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.763 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 24.2 t -94.79 140.7 29.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.17 -35.76 72.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -64.82 -36.27 83.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.6 mm-40 -70.95 -46.34 62.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.489 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.55 -40.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.083 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 14.2 tmtt? -64.41 -44.68 90.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.162 0.506 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m -74.89 -37.93 61.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.86 -45.5 82.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.536 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 29.1 mm-40 -63.63 -46.4 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.493 . . . . 0.0 110.879 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.789 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 28.2 t-20 -71.93 -30.69 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.238 -175.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 42.8 tp60 -68.81 -38.98 80.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 25.5 tpt180 -72.92 -39.24 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.211 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.789 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 18.2 ptp -68.19 -28.2 67.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.701 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HD3' ' OE1' ' A' ' 81' ' ' GLN . 9.0 ptpp? -77.62 -19.23 55.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.687 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -67.29 -8.39 31.74 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.29 -65.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.81 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -144.52 -46.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.735 0.642 . . . . 0.0 112.735 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.469 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 41.7 p-90 -108.75 174.42 5.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.576 0.703 . . . . 0.0 112.703 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.507 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 19.8 mm-40 -127.42 129.8 48.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.72 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.469 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 58.5 tttm -91.67 88.34 6.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.998 0.428 . . . . 0.0 110.002 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.532 ' HA ' HG23 ' A' ' 25' ' ' THR . 58.3 t30 -89.24 -11.25 44.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.611 0.72 . . . . 0.0 109.288 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.444 178.088 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 12.6 mmmm 67.61 -156.83 0.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.65 0.594 . . . . 0.0 111.221 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 53.7 mt-30 -109.57 89.43 7.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.676 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 33.6 Cg_exo -59.44 89.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.166 2.577 . . . . 0.0 113.505 -173.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -79.24 -21.33 46.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.492 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -88.66 100.15 12.89 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -153.13 -43.7 0.1 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.993 0.901 . . . . 0.0 108.809 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -84.41 85.57 7.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.565 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -105.09 94.67 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.898 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 p -88.64 30.02 0.95 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.302 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 m -119.82 144.07 29.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.427 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.25 -170.36 0.19 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.477 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -117.42 -41.84 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HG2' HD13 ' A' ' 34' ' ' LEU . 8.9 mtpm? -127.11 -178.97 4.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.999 170.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.8 ' HG2' ' HB2' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -67.9 -23.05 65.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 171.522 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 154.55 20.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.795 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -88.84 39.43 0.93 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.531 0.682 . . . . 0.0 110.052 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 t -120.91 86.01 40.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.73 88.56 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.002 2.468 . . . . 0.0 111.813 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -135.17 85.35 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.721 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -149.66 147.01 27.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.638 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -150.07 41.9 0.84 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.861 0.839 . . . . 0.0 108.775 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.8 156.38 17.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.118 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -116.89 -53.35 2.49 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.154 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 p 49.32 -163.08 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.747 0.654 . . . . 0.0 111.589 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -108.93 -27.25 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.413 . . . . 0.0 110.053 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -133.41 137.7 45.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.614 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.35 155.24 27.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.992 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -86.05 129.54 34.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.042 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -83.08 155.67 23.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.87 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -53.9 -42.01 68.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.389 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.5 p -62.19 -45.61 92.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.98 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 35.0 tt0 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.949 -175.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 14' ' ' LYS . 94.8 mt -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.755 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -64.05 -40.2 95.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.923 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 32' ' ' THR . 92.8 t -66.89 -38.69 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 111.022 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 97.9 mt -63.92 -43.46 95.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 110.308 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.8 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 24.1 t-20 -67.52 -36.61 81.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 176.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -53.44 -43.88 68.4 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.627 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 55' ' ' LEU . 6.8 mpt_? -76.25 -52.03 10.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.564 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.85 -20.76 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.59 -42.13 29.94 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.528 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -100.94 -8.66 22.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.815 0.34 . . . . 0.0 111.553 -174.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -134.48 136.57 43.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.26 -38.66 91.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.761 0.315 . . . . 0.0 111.231 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -151.15 165.18 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.64 121.93 25.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.38 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -75.98 173.95 10.59 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.625 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.4 mt -66.22 -39.45 89.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.23 0.538 . . . . 0.0 109.954 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -67.5 -34.5 77.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.02 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -75.16 -44.45 46.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.077 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.6 ptp -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.615 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 pt20 -74.23 -34.95 63.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.222 0.534 . . . . 0.0 110.277 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.07 -50.98 68.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.461 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 40' ' ' ARG . 3.5 mm? -58.58 -42.07 87.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.673 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 10.7 p -62.83 -38.77 92.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.122 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.57 -37.96 83.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.762 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.6 mt -75.31 -46.14 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.73 5.77 12.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.734 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 60.04 34.27 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.189 0.518 . . . . 0.0 110.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.99 177.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.879 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.72 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 25.3 t -93.6 145.48 24.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 75.8 t80 -57.2 -36.13 70.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.095 176.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.19 -38.87 91.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.68 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.72 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.4 mm-40 -68.12 -44.98 74.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.074 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 78.6 t -69.49 -42.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.911 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 8.1 tmtt? -61.94 -42.59 99.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.432 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.7 m -71.5 -40.79 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -60.55 -41.94 95.53 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.17 -48.09 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.54 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.512 . . . . 0.0 111.142 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -67.41 -45.07 77.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.827 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -64.52 -37.5 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.319 0.581 . . . . 0.0 109.821 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -70.9 -47.97 56.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.474 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.632 -173.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -63.15 -21.45 66.21 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.7 p -66.94 -36.55 82.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.998 0.428 . . . . 0.0 110.756 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -95.5 -34.06 12.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.826 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -44.39 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -94.64 128.04 41.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.011 0.434 . . . . 0.0 110.494 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -88.06 6.53 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -93.19 84.25 4.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.333 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -101.95 -32.34 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.051 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--O 1.252 1.205 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.345 177.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 54.8 tttm 68.35 14.25 9.14 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 111.015 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.27 156.34 0.12 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.697 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.648 ' HD3' ' HG2' ' A' ' 51' ' ' GLN . 58.4 Cg_endo -71.03 -4.87 15.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.456 2.104 . . . . 0.0 113.124 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -86.03 123.66 31.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.105 0.478 . . . . 0.0 110.625 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m 57.18 31.96 20.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.439 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.8 11.49 9.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.369 0.604 . . . . 0.0 109.712 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 9.4 pt-20 -68.39 124.58 23.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.706 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -145.62 5.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.647 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.7 m -155.48 115.87 3.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.821 0.343 . . . . 0.0 111.638 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -79.91 88.29 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 109.85 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.81 -15.4 60.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.255 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttm 54.1 72.49 0.45 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.874 0.734 . . . . 0.0 110.553 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 45.7 mmtm -130.05 141.86 50.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.258 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 35.0 mm-40 68.85 18.8 8.5 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.626 0.579 . . . . 0.0 110.951 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -76.44 -4.0 40.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.85 -178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm 69.49 94.56 0.07 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.741 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.87 72.86 75.77 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -97.74 102.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.304 2.669 . . . . 0.0 112.864 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.3 t -127.64 74.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.269 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -152.42 -87.53 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.506 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 69.9 mmtt -162.6 145.05 10.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 pm0 -78.89 37.47 0.3 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -78.98 107.87 12.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.177 0.513 . . . . 0.0 110.74 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -162.27 166.59 25.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.593 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -115.24 -55.5 2.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.736 0.303 . . . . 0.0 110.302 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.79 161.9 21.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.9 m -144.95 165.53 12.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.5 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -110.48 158.38 18.57 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -87.49 155.66 19.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 p -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.412 0.445 . . . . 0.0 110.749 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.8 p -59.08 -48.07 82.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -57.53 -48.41 79.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.549 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.62 -29.94 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.623 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.81 -46.51 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.05 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' THR . 57.4 t -64.74 -41.01 91.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.004 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.63 -43.47 96.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.014 0.435 . . . . 0.0 110.225 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.502 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.39 -45.26 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.227 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HB3' HD21 ' A' ' 47' ' ' LEU . 9.0 mpt_? -77.16 -51.45 10.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.532 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 28.3 m-85 -72.95 -20.57 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -170.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.596 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 13.8 mt-30 -94.03 -8.45 39.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.985 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 50.6 mtm180 -109.86 -25.12 10.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.04 0.448 . . . . 0.0 111.188 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.831 ' HA ' HE21 ' A' ' 44' ' ' GLN . 0.0 OUTLIER -112.55 169.97 8.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.376 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -80.97 -46.61 14.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 0.0 109.85 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.676 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 49.9 m-85 -153.84 179.74 8.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 51' ' ' GLN . 63.1 mt -104.19 135.89 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.151 0.501 . . . . 0.0 110.813 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -86.68 -177.42 6.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.798 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.03 -36.29 79.14 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.782 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -73.88 -36.29 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.323 0.583 . . . . 0.0 110.331 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.648 ' HG2' ' HD3' ' A' ' 4' ' ' PRO . 91.9 mt-30 -76.38 -31.23 57.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.913 -175.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 -35.28 65.46 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.313 -0.242 . . . . 0.0 111.139 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -73.98 -31.81 63.15 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 110.349 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 23.4 tt0 -62.52 -49.21 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HB3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -51.94 -51.44 57.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.966 -178.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -60.34 -37.75 81.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -66.48 -36.87 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.433 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.2 mt -72.84 -43.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.077 0.465 . . . . 0.0 111.437 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.63 7.99 43.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.897 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.66 52.75 9.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.896 0.855 . . . . 0.0 109.881 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.0 175.36 7.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.639 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.487 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 46.8 t -93.9 146.42 23.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.228 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -56.15 -40.03 73.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.586 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -36.85 84.01 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.329 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 98.6 mt-30 -65.2 -43.45 91.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.181 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 55' ' ' LEU . 87.9 t -71.03 -41.94 76.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.691 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -63.37 -37.83 88.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.429 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.0 m -66.5 -43.09 86.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -63.95 -44.06 93.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 44.7 t80 -56.1 -49.64 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.033 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.6 ' HG3' ' HE2' ' A' ' 75' ' ' MET . 6.5 tp-100 -63.04 -39.76 95.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -66.87 -46.98 73.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.37 -41.57 97.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -68.09 -37.14 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.6 ' HE2' ' HG3' ' A' ' 71' ' ' GLN . 67.4 mtm -70.79 -39.64 73.01 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.689 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -67.93 -26.38 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.67 179.064 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -69.15 -27.03 65.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -95.32 -63.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.662 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 48.4 mtt180 -141.58 -75.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.327 . . . . 0.0 111.163 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.49 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 38.7 p90 -157.26 174.9 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.244 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -87.31 130.77 34.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.795 -178.074 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -136.9 112.0 9.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -108.84 -52.64 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.441 -0.79 . . . . 0.0 108.965 174.865 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.807 0.337 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.455 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 17.1 tptm -176.04 -56.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.711 -176.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HG2' ' HG3' ' A' ' 2' ' ' LYS . 14.4 pt20 -160.65 80.99 2.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 121.217 0.532 . . . . 0.0 111.736 -174.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -87.7 63.91 3.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.58 2.186 . . . . 0.0 111.521 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.848 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m 60.94 91.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.302 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.96 149.04 41.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.808 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.19 79.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.096 0.474 . . . . 0.0 110.913 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -79.47 100.91 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.878 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m 60.64 26.9 16.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.338 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.3 m 45.34 -163.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.455 1.102 . . . . 0.0 113.168 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.25 135.05 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.262 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 17.38 12.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 69.2 164.41 0.25 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.748 0.655 . . . . 0.0 111.715 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.21 -59.08 2.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.6 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -167.93 155.32 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.208 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.5 mttp 63.91 -171.84 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.672 0.608 . . . . 0.0 110.437 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 84.03 44.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.64 103.47 1.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.682 2.255 . . . . 0.0 113.094 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.62 78.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.902 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -115.98 -15.99 11.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.471 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 71.19 -36.32 0.36 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.788 0.835 . . . . 0.0 113.249 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.67 128.33 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.8 mptt -93.95 142.24 27.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -62.51 -54.5 38.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 110.477 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -174.66 -78.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.992 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -118.02 133.9 55.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -156.3 178.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 -172.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.09 132.47 53.54 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 170.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -73.24 154.5 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -57.04 -35.61 69.52 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.689 0.28 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m -55.61 -46.28 77.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 110.348 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 13.0 mt-30 -70.66 -44.43 67.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.82 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.02 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.467 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.7 m -56.1 -44.97 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.497 0.189 . . . . 0.0 110.704 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 92.1 t -65.4 -44.86 94.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 90.0 mt -64.31 -45.33 88.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.148 0.499 . . . . 0.0 110.894 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.31 -32.73 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.98 -43.64 86.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 9.9 mpt_? -66.84 -47.43 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.79 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.35 -22.92 63.82 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -79.87 -27.25 40.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -103.21 -16.54 15.67 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.489 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -146.92 144.25 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -65.23 -46.88 78.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -145.0 169.21 18.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.464 0.173 . . . . 0.0 110.718 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.49 150.55 20.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -91.78 -179.45 5.33 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.537 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.4 tm? -64.11 -39.21 93.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.727 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.29 -28.2 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.049 0.452 . . . . 0.0 110.7 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.04 -40.6 53.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 ptp -62.95 -35.62 80.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.442 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -74.14 -33.43 63.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.087 175.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.9 tt0 -65.6 -53.76 37.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.8 -35.3 74.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 t -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.951 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -70.23 -37.32 74.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 0.0 110.934 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 54' ' ' GLU . 14.2 mm -66.54 -40.58 86.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.02 1.73 57.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.678 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 53.76 39.69 30.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.047 0.927 . . . . 0.0 109.808 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.39 177.35 4.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.992 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 31.4 t -87.36 148.07 25.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.312 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.08 -32.95 70.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.615 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.6 -35.71 81.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.545 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 55.2 mt-30 -72.24 -43.77 63.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -73.39 -37.91 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.237 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.3 -45.55 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.541 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -66.77 -36.63 82.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 42.4 t90 -60.28 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -56.04 -44.25 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.912 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -58.13 -48.23 80.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.462 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.24 -36.54 63.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.07 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 15.7 mm100 -61.11 -40.86 95.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -67.86 -39.49 83.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.262 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.513 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 70.8 mtm -66.96 -34.92 78.82 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.973 -178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -66.93 -35.02 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.861 0.363 . . . . 0.0 110.667 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 m -76.84 -38.06 54.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.569 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 75' ' ' MET . 9.6 ptmt -78.58 -31.48 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.433 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.18 26.9 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.756 -172.133 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.415 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 39.6 t90 -77.76 92.97 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 80' ' ' TRP . 76.4 mt-30 -160.93 166.24 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -122.94 70.18 1.01 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.138 0.494 . . . . 0.0 111.595 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -174.06 135.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.121 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.474 -177.458 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.494 ' OG ' ' HG2' ' A' ' 51' ' ' GLN . 32.4 m . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 120.796 0.331 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -151.1 -71.29 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -119.27 82.62 23.72 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.375 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' HG2' HD13 ' A' ' 58' ' ' ILE . 7.1 Cg_exo -74.51 -41.7 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.525 2.15 . . . . 0.0 111.552 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.7 m -99.62 90.92 4.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.776 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -138.62 15.69 2.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.429 0.633 . . . . 0.0 109.404 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.05 145.32 41.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.842 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -95.37 97.43 9.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.055 0.455 . . . . 0.0 110.718 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -91.32 116.94 29.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.924 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.9 m -92.52 173.4 7.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.3 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t 59.52 72.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 109.844 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.66 96.84 5.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.329 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.9 118.85 13.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.954 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -78.75 151.96 31.76 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.123 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.66 122.38 18.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.784 0.326 . . . . 0.0 110.192 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -85.85 18.67 2.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.313 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 17' ' ' LYS . 25.9 pttm -76.16 106.29 7.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.436 0.636 . . . . 0.0 109.572 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.07 89.24 49.09 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.667 -173.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.39 86.1 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.199 2.599 . . . . 0.0 113.19 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.2 t 56.97 72.49 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.45 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 64.54 -174.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.659 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -64.38 -17.78 64.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -173.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.728 ' HG2' ' H ' ' A' ' 24' ' ' LYS . 37.7 tt0 64.11 -176.48 0.16 Allowed 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.676 0.61 . . . . 0.0 111.135 174.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.728 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 20.0 ptmt -125.49 95.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.573 0.701 . . . . 0.0 110.182 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -102.0 162.94 12.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.827 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.97 -57.63 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.5 HG22 ' H ' ' A' ' 28' ' ' VAL . 1.1 m -159.5 171.55 19.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 171.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' H ' HG22 ' A' ' 27' ' ' THR . 14.1 m -145.45 -178.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.846 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.9 173.19 10.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.292 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -75.69 153.49 37.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.6 m -64.44 -45.63 86.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.482 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.593 ' HA ' HD22 ' A' ' 59' ' ' LEU . 90.3 mt-30 -64.66 -45.48 86.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.27 -46.79 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.074 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.32 -35.55 81.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.991 -176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.588 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 90.9 t -68.06 -43.88 85.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 110.251 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -43.13 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.1 0.476 . . . . 0.0 110.579 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.68 -53.4 34.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.251 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.12 -38.57 88.5 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.196 -173.033 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -52.08 -52.26 52.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.587 0.232 . . . . 0.0 111.276 173.029 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.96 -21.33 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -80.12 -27.31 39.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.676 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.7 mmm180 -90.53 -37.73 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -129.33 155.69 45.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.73 -49.04 76.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.089 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -143.7 -165.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -117.24 139.63 50.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.461 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' ' HG3' ' A' ' 51' ' ' GLN . 32.7 t -80.64 176.79 9.49 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -40.33 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.014 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.43 -36.32 80.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.363 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.5 ' HG3' ' HB3' ' A' ' 48' ' ' SER . 43.5 mt-30 -75.07 -42.33 57.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.514 -175.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -65.48 -42.94 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.593 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -72.52 -36.17 68.27 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.626 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.674 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.5 tp10 -69.82 -42.54 73.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.23 -35.88 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.58 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -56.13 -48.19 76.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.76 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 21.5 t30 -59.83 -41.47 91.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.212 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.674 HG13 ' O ' ' A' ' 54' ' ' GLU . 39.4 mt -69.23 -46.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.375 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -88.09 3.64 48.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 60.89 31.71 20.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.52 0.676 . . . . 0.0 109.819 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.92 -176.66 3.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.238 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -98.25 146.56 25.52 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -57.93 -34.36 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.311 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.2 -43.81 93.92 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.457 ' OE1' ' HA ' ' A' ' 65' ' ' GLN . 15.0 mm-40 -67.98 -41.6 82.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.1 -40.64 75.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.755 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -62.54 -43.94 97.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.645 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.2 m -60.86 -38.38 85.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.308 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -51.37 69.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.22 0.533 . . . . 0.0 110.317 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -40.57 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.228 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -73.1 -28.77 62.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.047 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 75' ' ' MET . 4.3 t30 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.535 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 13.9 mm100 -58.38 -41.44 84.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 173.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 15.0 mmm180 -64.36 -44.81 90.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -71.66 -25.39 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.757 -174.013 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' OE1' ' A' ' 73' ' ' GLN . 14.0 ptmm? -87.18 -17.92 31.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.1 m -50.45 -29.13 9.6 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -170.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.5 -64.41 0.91 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -143.43 -73.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.419 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -141.18 102.07 4.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.402 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 6.4 mp0 61.45 -172.89 0.14 Allowed 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.953 0.783 . . . . 0.0 110.817 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -76.13 87.26 3.0 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -93.69 118.87 31.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.087 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 C--O 1.245 0.865 0 O-C-N 124.182 0.926 . . . . 0.0 109.863 -178.714 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 63.57 -174.11 0.16 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.84 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -130.87 75.79 78.11 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 175.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.74 63.08 7.99 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.624 2.216 . . . . 0.0 111.795 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -118.13 -32.01 4.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.724 0.773 . . . . 0.0 109.806 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -112.09 85.43 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.373 177.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.37 -38.6 14.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 65.7 88.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.257 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 12' ' ' ALA . 14.3 p-10 -93.46 97.11 10.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.845 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.36 -49.47 67.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.707 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -111.05 24.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.777 0.799 . . . . 0.0 109.726 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . . . 73.15 -59.77 0.56 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.45 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 45.0 tttp 68.22 116.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.618 0.574 . . . . 0.0 110.553 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HB2' ' HG3' ' A' ' 19' ' ' PRO . 52.7 mtpt -123.46 92.18 3.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.483 0.659 . . . . 0.0 110.031 177.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 63.49 -85.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.511 -177.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -130.03 -154.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.498 0.19 . . . . 0.0 110.639 -170.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -72.49 95.4 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.003 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 64.0 t 59.1 89.06 0.11 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 121.002 0.43 . . . . 0.0 111.132 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.619 ' HG3' ' HB2' ' A' ' 14' ' ' LYS . 13.2 Cg_endo -54.52 172.34 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.316 2.677 . . . . 0.0 113.184 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.2 t 65.98 93.06 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.831 -173.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -148.66 -62.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.933 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -163.96 28.83 0.08 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.352 0.596 . . . . 0.0 110.147 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.49 86.04 5.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.498 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -95.71 83.23 3.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.725 0.774 . . . . 0.0 110.766 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -88.51 157.33 18.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.458 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.607 ' HE ' ' HA ' ' A' ' 26' ' ' ARG . 4.7 tpm_? -73.49 -45.76 52.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 110.202 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -130.13 150.32 51.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.577 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.64 153.65 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.979 0.419 . . . . 0.0 111.135 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 21.6 m-30 -118.02 176.61 5.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 174.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -58.42 152.65 17.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 t -60.57 -37.04 80.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.995 0.426 . . . . 0.0 109.972 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.3 m -66.15 -41.08 90.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.695 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 29' ' ' PHE . 85.8 mt -59.35 -49.96 75.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.504 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.43 -30.72 69.67 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.672 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 45.7 t -66.18 -45.51 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.119 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.76 -44.04 94.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.423 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 11.4 t-20 -60.34 -49.06 79.11 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.4 t70 -56.66 -50.1 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.111 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 14.1 mmt180 -62.3 -40.82 97.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.222 -175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -71.73 -22.44 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.095 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 16.0 mm100 -80.27 -25.21 39.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 174.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.3 mmt180 -83.33 -50.3 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.303 0.573 . . . . 0.0 110.115 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -126.94 153.11 46.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.002 -172.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.28 -51.43 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.487 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.682 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -147.32 152.98 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.171 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.37 144.52 34.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.838 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -79.0 177.38 8.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -40.3 94.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.431 -175.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -71.97 -36.65 69.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.628 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -70.98 -37.25 72.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.884 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.9 ptp -66.19 -44.55 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.29 -34.69 65.91 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 58' ' ' ILE . 8.0 tp10 -59.81 -53.24 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.36 -41.22 72.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.004 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -53.69 -54.39 38.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.5 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -66.73 -31.6 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.7 mt -70.46 -40.74 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.098 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 59' ' ' LEU . 4.4 mm? -93.76 7.78 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.096 -177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 60.63 36.68 19.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.979 0.895 . . . . 0.0 110.084 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.15 174.18 5.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.234 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -96.57 140.11 31.68 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.322 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.82 -30.49 67.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.235 0.54 . . . . 0.0 109.742 174.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.11 -39.44 93.11 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.462 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 10.4 mm-40 -75.38 -44.12 46.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.496 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.45 -41.75 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.943 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 70' ' ' PHE . 1.1 tmmt? -69.03 -39.91 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.054 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.0 m -68.22 -40.29 82.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.837 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 11.8 t90 -65.91 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.682 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 68.2 t80 -58.64 -45.19 89.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.552 173.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 74.0 mm-40 -65.94 -28.34 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.746 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 95.4 m-20 -66.49 -42.14 87.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.467 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.96 -37.36 79.33 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 1.9 mmp_? -64.09 -41.55 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.206 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.471 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 17.0 ptp -73.49 -34.89 65.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.766 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 97.7 mttt -61.69 -26.67 68.18 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.552 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.3 m -57.42 -50.0 74.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.657 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -97.82 -23.87 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.788 0.328 . . . . 0.0 111.75 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.666 ' HG2' ' HB3' ' A' ' 83' ' ' ASN . 28.7 ttt85 -97.62 6.6 47.79 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.037 -170.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.506 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 10.0 t90 -66.67 126.45 28.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 111.367 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 78.5 mm-40 76.08 3.82 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.809 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -122.14 23.65 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.616 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.666 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 4.6 p-10 -116.98 160.76 20.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.453 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 173.536 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 47.0 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -63.89 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -61.86 -52.07 65.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.252 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.14 -45.87 83.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.21 -42.51 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.542 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -42.87 93.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -66.31 -42.29 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 95.1 mt -60.4 -49.39 77.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 58.2 t30 -66.84 -41.22 87.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.545 -176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.664 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 20.1 t70 -60.67 -50.88 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.711 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -64.36 -35.2 80.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.287 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.35 -26.2 64.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 14.8 mm100 -86.73 -37.62 17.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.7 mmt180 -74.15 -46.36 42.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.105 0.479 . . . . 0.0 110.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -100.05 -178.64 3.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.752 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.41 -55.03 5.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.259 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -164.55 -170.43 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.922 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.54 120.95 34.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 110.021 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 t -78.64 177.15 8.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.855 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 52' ' ' MET . 51.0 tp -60.79 -38.96 87.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.305 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.732 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 9.0 tt0 -77.33 -42.58 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.392 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.26 -34.76 68.95 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 22.6 ptp -64.31 -34.66 78.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.247 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 -75.77 -35.68 60.05 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.567 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 58' ' ' ILE . 1.9 mp0 -58.54 -53.74 54.88 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 109.97 172.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.26 -43.58 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.481 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 t -53.35 -46.4 69.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.747 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.31 -36.45 82.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.654 HG13 ' O ' ' A' ' 54' ' ' GLU . 28.6 mt -70.09 -44.91 77.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -175.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 59' ' ' LEU . 3.4 mm? -90.01 7.27 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.507 -175.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.19 31.33 19.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.697 0.761 . . . . 0.0 110.343 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -107.97 -178.0 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.667 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.839 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.2 t -99.83 143.77 29.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.138 0.494 . . . . 0.0 110.856 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.64 -30.98 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.555 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -69.81 -36.77 75.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.139 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.839 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 10.5 mm100 -75.22 -44.89 43.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.41 -39.97 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.33 -46.2 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.761 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.462 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.94 -47.24 86.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.042 0.449 . . . . 0.0 110.039 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -61.83 -47.73 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.273 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -67.51 -30.44 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.651 0.262 . . . . 0.0 111.639 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.93 -47.59 61.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.076 0.465 . . . . 0.0 109.897 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 86.2 mm-40 -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.481 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -77.31 -14.56 59.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 64.6 pttt . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.312 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -52.6 -48.03 66.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.7 m -65.19 -41.55 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 110.734 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.493 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.8 mt-30 -62.2 -48.02 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.23 -46.05 91.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.71 -49.8 75.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.342 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 42.0 t -66.53 -40.55 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.745 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.77 -47.89 81.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.94 -33.75 70.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.32 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -54.25 -44.94 72.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.094 0.473 . . . . 0.0 110.588 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 18.2 mmm180 -65.27 -42.58 93.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.97 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -74.15 -21.58 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.475 0.655 . . . . 0.0 111.213 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -76.75 -49.94 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 43' ' ' ARG . 59.5 mtt-85 -94.36 -10.42 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.524 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -139.76 156.49 46.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.763 0.316 . . . . 0.0 111.546 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -149.3 172.86 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.256 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -77.97 136.14 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 m -84.47 174.45 10.05 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.72 -41.66 98.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -72.47 -35.83 68.32 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.761 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 73.7 mt-30 -75.56 -31.19 59.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -174.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.8 ptp -68.85 -40.18 79.53 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.627 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.29 -34.15 63.45 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.532 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 58' ' ' ILE . 27.2 tt0 -63.87 -50.06 70.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.094 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -58.92 -39.42 81.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 178.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -45.26 71.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.29 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.08 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' GLU . 32.4 mt -65.41 -42.45 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.803 -175.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD22 ' HG2' ' A' ' 33' ' ' GLN . 34.0 mt -93.33 1.4 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.303 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 58.52 38.7 25.42 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.946 0.879 . . . . 0.0 110.08 -176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.9 mt -108.03 -176.68 3.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.452 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 t -98.81 142.14 30.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -53.97 -37.68 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.644 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.35 -37.48 80.54 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.194 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -69.2 -43.15 74.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.446 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.31 -39.15 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.963 0.411 . . . . 0.0 110.304 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -64.02 -49.43 72.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.941 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -64.43 -46.92 81.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.267 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -59.18 -48.33 82.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.391 . . . . 0.0 110.111 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -56.64 -51.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.325 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.73 -36.85 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 111.088 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.75 -51.04 53.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.75 -36.51 83.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.062 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.75 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.24 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -78.53 -41.16 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -69.57 -34.9 74.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.0 m -54.91 -43.7 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.053 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG2' HD22 ' A' ' 59' ' ' LEU . 29.3 mt-30 -71.51 -42.71 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 37' ' ' LEU . 91.6 mt -64.55 -37.87 89.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.132 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.79 -42.72 98.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.849 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 32' ' ' THR . 67.6 t -63.56 -38.36 82.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' CH2' ' A' ' 69' ' ' TRP . 73.5 mt -65.65 -42.27 91.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.284 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 44.0 t-20 -63.42 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.041 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 10.4 t70 -59.81 -56.51 20.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.585 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' HB3' HD11 ' A' ' 47' ' ' LEU . 2.4 mpt_? -58.98 -40.37 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.482 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.91 -20.77 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.671 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -90.38 -42.23 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 15.7 mmm-85 -68.7 -39.81 80.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.135 0.493 . . . . 0.0 110.162 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -119.17 -178.02 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.465 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 12.5 mptt -88.11 -43.88 11.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.706 ' HB3' ' HZ ' ' A' ' 70' ' ' PHE . 64.6 m-85 -139.47 164.4 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.497 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 40' ' ' ARG . 9.7 mp -84.88 128.92 34.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.722 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -81.39 176.66 9.52 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.724 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.19 -36.04 80.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.427 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -35.42 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.074 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.32 -41.89 72.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.553 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 19.9 ptp -68.33 -34.78 76.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.643 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.83 -32.43 61.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.702 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' ILE . 37.5 tt0 -64.96 -48.38 74.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 109.868 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.39 -44.81 95.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.575 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 p -62.88 -32.24 73.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.065 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.81 88.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.5 mt -72.24 -47.03 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -174.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG2' ' A' ' 33' ' ' GLN . 77.3 mt -86.99 6.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 54.53 57.32 5.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.658 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.6 164.54 24.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.69 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 19.9 t -72.86 141.03 47.94 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.288 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 52' ' ' MET . 56.5 t80 -57.4 -36.05 70.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.4 -40.12 85.61 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.091 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 25.3 mm-40 -67.92 -41.33 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 56' ' ' SER . 79.9 t -68.89 -39.85 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 0.0 110.039 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.44 -44.66 93.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.718 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.0 m -70.3 -43.37 70.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.001 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' HD13 ' A' ' 37' ' ' LEU . 64.0 t90 -60.73 -43.99 97.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.706 ' HZ ' ' HB3' ' A' ' 46' ' ' TYR . 68.1 t80 -61.02 -49.32 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.967 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -66.01 -28.7 69.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.612 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 23.9 t-20 -69.84 -45.65 67.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.219 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 81.9 mm-40 -64.57 -31.72 73.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.12 0.486 . . . . 0.0 110.224 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.33 -41.79 69.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.037 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.612 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 23.0 ptp -72.0 -29.04 63.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.695 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.8 mmtp . . . . . 0 N--CA 1.465 0.277 0 CA-C-O 121.213 0.53 . . . . 0.0 109.834 173.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . 16.2 m . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -51.69 -46.35 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.228 0.33 . . . . 0.0 110.789 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 11.5 m -58.99 -41.63 88.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.454 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.701 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 6.3 mm100 -67.72 -44.29 77.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.075 0.464 . . . . 0.0 109.833 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.24 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.851 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.06 -46.77 84.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.448 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.636 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 94.7 t -60.14 -42.12 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.56 -46.96 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.775 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -66.79 -44.78 80.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 7.7 t70 -59.14 -48.29 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.143 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 6.2 mpt_? -64.82 -45.92 84.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-85 -69.91 -21.19 63.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.498 . . . . 0.0 111.156 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -74.41 -30.78 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 37.7 mtt180 -90.01 -43.3 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.328 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 78.9 mt-30 -129.01 136.87 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.634 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.92 -43.16 96.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.21 150.05 48.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.522 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.8 148.98 29.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 m -80.83 175.7 10.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.983 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.27 -42.79 83.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.65 -26.87 63.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.182 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -74.87 -43.24 55.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.822 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.5 -38.26 90.4 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.551 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.85 -32.98 63.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.804 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 9.4 tp10 -71.64 -38.03 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.52 -46.96 87.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.514 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.3 p -60.37 -37.19 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.532 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.93 -38.62 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 26.4 mt -70.91 -44.21 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.949 0.404 . . . . 0.0 111.22 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 33' ' ' GLN . 3.2 mm? -88.71 4.69 46.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.427 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.2 20.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.53 175.72 5.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.784 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 13.3 t -81.94 143.85 31.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.247 0.546 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -57.26 -36.78 71.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.288 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -71.97 -30.66 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.876 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.784 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 57.1 mt-30 -65.0 -43.83 91.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 91.9 t -71.75 -45.57 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.302 0.572 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -58.43 -44.24 89.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.42 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -74.78 -39.14 61.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -62.71 -49.53 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.58 -42.54 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.291 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 75' ' ' MET . 6.5 tp-100 -65.71 -46.61 78.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.25 -38.76 88.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.622 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.52 -48.61 81.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.402 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -72.23 -25.46 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.034 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 57.4 mtm -66.91 -42.81 84.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.7 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.2 mttm . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.253 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 p -52.48 -42.54 64.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.45 0.468 . . . . 0.0 111.888 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.5 m -56.66 -50.82 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.571 ' HG2' HD22 ' A' ' 59' ' ' LEU . 8.1 mt-30 -67.58 -39.85 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.707 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.16 -44.3 87.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.08 -41.95 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' THR . 85.1 t -64.38 -44.16 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.061 0.458 . . . . 0.0 110.619 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD13 ' CH2' ' A' ' 69' ' ' TRP . 95.1 mt -61.97 -49.95 74.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.98 -39.86 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 18.0 t70 -59.85 -51.49 69.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -75.17 -28.17 59.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -176.253 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.01 -18.63 63.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 111.002 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -83.57 -49.51 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.9 mmt180 -66.45 -52.66 44.01 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 109.836 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -90.73 -177.96 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 63.3 mmtt -112.04 -37.54 5.05 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.434 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.4 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 32.2 m-85 -146.99 176.87 9.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.24 137.43 37.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.156 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 p -92.12 179.47 5.57 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.64 -38.04 83.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.672 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.74 -43.67 58.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.911 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.99 -39.65 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.754 -176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.37 -38.98 81.92 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.07 -40.06 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.614 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 43.9 mt-10 -71.91 -38.44 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.785 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.37 -39.22 89.84 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.928 0.394 . . . . 0.0 110.289 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -52.95 -47.24 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.933 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.86 -40.13 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.7 mt -71.86 -47.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.229 -175.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 33' ' ' GLN . 89.3 mt -78.74 -0.23 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -175.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.17 25.46 13.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.802 0.81 . . . . 0.0 110.205 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.85 173.4 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.915 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 26.3 t -81.46 148.47 29.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 64.5 t80 -61.25 -33.97 74.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.582 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.02 -36.18 79.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.874 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 56.3 mt-30 -68.07 -44.06 77.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.189 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.14 -42.97 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.011 0.434 . . . . 0.0 110.734 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 47.7 tttp -63.79 -50.37 69.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.328 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.9 m -66.24 -36.15 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.203 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.458 ' CH2' HD13 ' A' ' 37' ' ' LEU . 27.7 t90 -64.07 -48.82 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.021 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 54.1 t80 -59.82 -40.8 89.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.433 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.741 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.627 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 11.5 m-80 -79.28 -44.35 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.082 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' PHE . 19.6 pt20 -61.9 -31.03 71.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.509 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -71.24 -44.23 65.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.301 178.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.627 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 21.2 ptp -78.9 -60.98 2.16 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 75' ' ' MET . 16.6 ptpt . . . . . 0 N--CA 1.467 0.398 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -165.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 m -49.88 -40.04 41.52 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 123.622 0.576 . . . . 0.0 110.842 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.64 -53.03 62.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.958 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG2' HD11 ' A' ' 59' ' ' LEU . 48.5 mt-30 -66.39 -37.93 86.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.719 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.18 -47.39 85.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.8 m -63.54 -36.19 82.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.373 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 77.4 t -61.72 -46.3 96.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.533 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.41 -44.15 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.034 0.445 . . . . 0.0 110.131 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -64.24 -36.42 84.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.58 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -65.01 -46.73 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.864 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 12.2 mmm180 -58.98 -41.69 88.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.566 0.222 . . . . 0.0 110.656 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 28.9 m-85 -74.35 -21.31 59.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.328 0.585 . . . . 0.0 111.372 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -38.21 59.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.573 174.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.8 mmt180 -69.53 -52.95 21.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 23.1 mt-30 -129.14 149.06 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.601 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.73 -39.29 93.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.54 157.58 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.74 147.65 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.329 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 p -89.83 177.97 6.36 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.812 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.3 -36.85 85.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.397 0.618 . . . . 0.0 109.707 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.84 -40.0 69.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.016 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -73.3 -34.08 65.54 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.35 -43.59 90.37 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.041 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.2 -31.79 64.4 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.433 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.9 tt0 -58.5 -53.96 52.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.978 173.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.959 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 63' ' ' TYR . 32.3 m -53.98 -53.14 57.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.243 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.69 -33.1 75.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.0 mt -71.37 -37.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 ' HG2' ' A' ' 33' ' ' GLN . 27.5 tp -92.2 0.04 57.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.18 29.2 18.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.993 0.902 . . . . 0.0 109.76 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.35 165.44 11.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.403 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -82.04 144.03 31.13 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.447 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.499 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 20.3 t80 -53.81 -41.24 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.884 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.33 -26.83 63.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.47 -38.43 59.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.39 -42.25 64.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.282 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -62.23 -50.28 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.2 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.8 m -62.73 -42.4 99.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.656 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 39.8 t90 -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 29.3 t80 -60.87 -42.61 98.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.19 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.482 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 5.3 tp-100 -66.76 -35.64 80.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 0.0 110.432 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 11.8 m-80 -67.85 -50.95 53.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 70' ' ' PHE . 5.0 pp0? -63.21 -30.73 71.82 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 48.0 ttt180 -67.38 -45.06 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.079 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 69.7 mtm -64.81 -37.22 86.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.567 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 35.4 mmtp . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.655 0.264 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -61.72 -28.95 69.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -72.63 -46.75 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.753 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' ' 59' ' ' LEU . 48.7 mt-30 -63.68 -39.64 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.63 -34.34 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.73 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.56 -37.8 80.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 110.531 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.44 -43.43 81.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.154 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 27.9 t-20 -65.71 -43.53 88.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.72 -41.65 74.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HE ' HD13 ' A' ' 55' ' ' LEU . 1.2 mpt_? -55.28 -48.8 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.9 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.41 -21.64 59.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.043 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 12.4 mm100 -86.28 -24.93 25.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 111.575 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 2.4 mmp_? -85.9 -43.13 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.705 0.288 . . . . 0.0 110.456 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -128.27 144.53 51.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 20.7 ptmt -63.68 -24.02 67.61 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.308 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -147.79 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 47' ' ' LEU . 2.4 pp -107.65 128.13 54.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.324 0.583 . . . . 0.0 110.422 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -82.98 -174.54 5.34 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.259 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.02 -34.44 75.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.62 0.724 . . . . 0.0 109.237 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -29.22 62.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.057 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -75.54 -44.7 42.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.862 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB3' HD13 ' A' ' 47' ' ' LEU . 23.9 ptp -60.15 -38.77 84.16 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.29 -37.17 66.32 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.342 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 39.9 tt0 -64.0 -44.76 91.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.144 0.497 . . . . 0.0 109.937 175.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD13 ' HE ' ' A' ' 40' ' ' ARG . 50.1 tp -58.62 -46.13 87.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.874 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.3 m -52.78 -48.81 66.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.034 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -61.66 -33.76 74.53 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.745 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 14.2 mt -72.31 -39.58 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.0 111.442 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 33' ' ' GLN . 3.4 mm? -95.23 1.98 54.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.398 -175.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 36.99 18.44 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mp -107.95 168.97 8.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.347 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 42.5 t -84.81 137.97 32.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.283 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.66 -33.43 66.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.059 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.76 -37.83 76.55 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.958 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 84.4 mm-40 -68.85 -46.33 68.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -40.41 86.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 111.053 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.203 0.525 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -71.44 -34.19 70.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.685 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -56.92 -48.66 77.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.48 -41.04 88.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.096 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -67.33 -33.17 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 16.1 m-80 -74.3 -45.14 49.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.13 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.48 -40.08 93.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 74' ' ' ARG . 30.5 ttt180 -55.08 -49.97 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 176.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.28 -36.46 66.32 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.231 -172.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 19.9 ptmt . . . . . 0 C--N 1.329 -0.291 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.907 -175.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -58.13 -38.81 77.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.06 0.457 . . . . 0.0 110.14 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.6 m -60.66 -48.16 83.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.526 ' HG2' HD22 ' A' ' 59' ' ' LEU . 55.1 mt-30 -60.98 -47.88 84.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.27 -43.98 92.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.703 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.93 -45.4 93.84 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.489 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.637 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 73.5 t -60.71 -44.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.752 -0.203 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 110.713 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -66.78 -41.49 87.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.634 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 1.1 m-20 -68.18 -31.56 71.19 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.428 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -62.39 -40.72 97.39 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.771 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.99 -28.3 57.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -83.12 -50.04 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.6 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.2 mmt180 -77.9 -38.98 44.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.429 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 mp0 -102.16 -178.91 3.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 41.0 tptt -90.93 -52.88 4.63 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.85 176.57 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.738 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 40' ' ' ARG . 7.3 mp -102.81 129.62 49.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.95 177.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.7 p -83.15 -177.36 6.73 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.32 -29.59 69.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.046 0.451 . . . . 0.0 110.093 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.83 -45.85 33.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.169 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 47' ' ' LEU . 28.7 mt-30 -62.33 -34.86 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.537 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.8 ptp -66.66 -43.24 85.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.023 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 20.4 pt20 -73.97 -36.69 64.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.24 0.543 . . . . 0.0 110.168 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 58' ' ' ILE . 22.1 tt0 -63.38 -38.04 89.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.14 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 36' ' ' VAL . 32.5 tp -80.08 -37.47 33.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.383 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.413 ' HB3' HG21 ' A' ' 66' ' ' VAL . 80.2 p -57.55 -33.06 67.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.563 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.15 -35.44 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' GLU . 22.9 mt -72.02 -47.31 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.006 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 33' ' ' GLN . 97.4 mt -82.49 4.99 22.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.483 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 56.52 64.05 1.79 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.832 0.825 . . . . 0.0 110.072 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -137.31 171.28 14.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.458 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.753 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.8 t -86.29 146.91 26.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.482 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 29.1 t80 -57.51 -36.83 72.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -71.02 -35.33 71.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.11 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.753 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 15.9 mm100 -65.87 -44.79 84.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.268 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 56' ' ' SER . 72.3 t -72.94 -38.28 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.646 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.537 ' HG2' ' SD ' ' A' ' 52' ' ' MET . 3.6 tmtm? -58.37 -45.97 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.279 0.562 . . . . 0.0 109.747 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.4 m -63.96 -49.24 73.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.09 -44.22 97.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.0 -47.81 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.809 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -69.21 -42.41 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.579 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 19.5 t-20 -63.91 -50.3 69.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.77 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -59.65 -38.61 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -67.45 -48.95 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 24.8 ptm -70.34 -37.89 74.76 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.827 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt . . . . . 0 C--N 1.331 -0.208 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.074 -175.608 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 m -52.67 -35.21 54.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 111.233 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -61.92 -43.86 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.039 178.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -75.38 -40.74 57.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.13 -37.84 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.662 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.9 -40.28 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 32' ' ' THR . 59.9 t -64.52 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.565 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 55' ' ' LEU . 94.7 mt -60.85 -44.72 96.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 23.8 t-20 -64.14 -36.73 85.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.508 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.3 t70 -55.16 -50.33 69.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -38.87 79.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.7 -20.79 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 27.2 mm-40 -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.883 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 26.8 mmt180 -73.56 -37.77 65.43 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 110.836 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.44 161.91 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.925 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.93 -40.49 95.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 0.0 109.839 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.896 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 61.0 m-85 -143.2 147.62 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.308 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 52' ' ' MET . 1.4 pp -79.93 146.43 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.42 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -79.35 178.79 7.83 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.615 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 3.3 tm? -63.94 -38.69 92.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.073 -177.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.36 -29.51 65.06 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.749 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 57.7 mt-30 -76.01 -45.19 35.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.691 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.565 ' HB3' HD13 ' A' ' 47' ' ' LEU . 21.9 ptp -58.36 -45.26 88.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.8 pt20 -69.82 -35.24 74.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.549 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.7 tt0 -60.15 -54.03 50.76 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.012 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 HD23 ' A' ' 37' ' ' LEU . 46.7 tp -60.05 -41.39 92.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.314 -176.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 m -55.71 -53.4 57.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.535 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.96 -35.33 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.1 mt -81.17 -41.86 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.022 -175.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.2 tp -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.563 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.1 t30 62.62 32.96 16.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.697 0.76 . . . . 0.0 110.555 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -113.8 162.97 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.778 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 33.2 t -79.95 146.93 31.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.016 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 40.4 t80 -53.32 -37.35 62.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.584 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -66.6 -39.41 88.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.831 0.348 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 79.0 mt-30 -65.31 -44.79 86.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.509 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.97 -41.61 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.928 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 2.9 tmtp? -66.18 -40.66 90.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -69.71 -38.67 77.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.69 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.218 0.533 . . . . 0.0 109.717 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.896 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 2.7 t80 -58.8 -51.68 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.205 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 4.3 tp-100 -65.59 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.927 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.7 t-20 -71.0 -51.96 22.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.338 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 60.3 ttt180 -64.59 -47.15 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.486 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 20.9 ptp -78.71 -6.75 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 69.6 mmtt . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.768 0.318 . . . . 0.0 111.471 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -61.13 -32.21 71.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.797 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.4 m -60.71 -49.55 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.751 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.33 -49.54 71.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.13 -44.67 79.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.746 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.0 t -60.32 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.606 0.241 . . . . 0.0 111.267 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.54 -39.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.959 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.15 -41.8 99.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.344 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.2 -48.52 75.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.961 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.19 -53.11 61.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -63.42 -42.96 98.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.512 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 10.7 m-85 -73.92 -20.46 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -88.33 -23.49 23.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.74 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HG3' ' HG3' ' A' ' 44' ' ' GLN . 12.6 ptm180 -98.8 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 111.169 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 93.2 mt-30 -134.67 158.32 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -70.25 -52.59 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.484 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -149.92 165.25 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.61 149.11 22.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.607 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 p -87.76 177.35 7.04 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.54 -32.53 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -74.74 -39.36 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.218 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -75.29 -32.85 61.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.001 -175.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 ptp -67.44 -39.19 85.4 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.533 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.502 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 3.5 pt20 -74.31 -33.49 63.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.475 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.78 -36.94 83.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.503 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.02 -45.01 71.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.976 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.48 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 11.9 p -59.94 -30.03 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.759 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -67.33 -33.77 75.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.764 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.3 mt -71.15 -46.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.336 0.588 . . . . 0.0 110.606 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.27 1.6 44.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.758 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 59.44 40.41 20.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.871 0.843 . . . . 0.0 109.764 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.09 -177.39 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -93.49 146.73 23.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.846 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 14.4 t80 -56.74 -38.27 72.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.027 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -71.79 -32.07 67.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.3 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -67.67 -46.32 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 86.7 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.472 0.653 . . . . 0.0 110.552 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 46.1 tttp -61.77 -43.41 98.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.222 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -65.02 -40.05 94.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.459 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 2.5 t90 -65.83 -39.46 90.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 109.663 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.51 -44.92 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.291 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 50.2 mt-30 -67.69 -31.01 70.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.424 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.5 m-80 -73.82 -40.62 63.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.83 -35.07 77.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.294 0.569 . . . . 0.0 109.879 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -40.86 69.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.301 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.493 ' HG3' ' HA ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.19 -22.48 60.46 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.234 -0.587 . . . . 0.0 111.408 -176.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.1 mmtp . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 111.052 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.752 0.31 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -60.53 -38.1 83.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.969 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.2 p -68.0 -44.85 75.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.793 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -49.15 78.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.801 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.99 -41.03 86.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -61.29 -51.96 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.592 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 92.2 t -58.76 -46.72 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.495 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.814 ' HA ' ' HE ' ' A' ' 40' ' ' ARG . 98.9 mt -56.55 -53.66 54.96 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.46 -32.82 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 -173.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.41 -57.6 12.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.514 0.197 . . . . 0.0 111.452 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.971 HH22 ' HG ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.33 -23.89 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.078 -177.806 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.447 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 3.9 m-85 -68.85 -20.55 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.374 172.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.31 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.319 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 21.6 mmt180 -74.04 -23.51 59.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.884 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -127.39 -178.06 4.31 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -83.0 -52.83 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -152.38 -174.74 5.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 70' ' ' PHE . 96.5 mt -74.54 123.92 25.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.232 175.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -75.11 172.06 13.03 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -65.15 -41.36 94.8 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.585 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -71.46 -39.97 70.61 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.274 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -59.29 -45.14 92.07 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.81 -43.06 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.47 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.56 -35.68 65.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 58' ' ' ILE . 2.1 tp10 -64.5 -54.09 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.856 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.971 ' HG ' HH22 ' A' ' 40' ' ' ARG . 2.6 tm? -59.32 -42.74 92.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.975 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.1 t -53.19 -52.91 57.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.468 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.15 -34.91 79.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 54' ' ' GLU . 13.6 mt -80.2 -36.94 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 tp -87.05 0.27 55.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.479 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 65.86 32.11 8.93 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.122 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.94 -177.18 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -99.14 144.27 28.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -61.73 -30.66 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.923 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.73 -44.46 90.09 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.284 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.5 -46.39 79.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -42.54 90.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.04 0.448 . . . . 0.0 110.897 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.39 -44.41 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.501 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.7 m -65.53 -37.73 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.24 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 76.1 t90 -63.68 -41.34 98.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 47' ' ' LEU . 48.9 t80 -58.87 -43.32 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.814 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -64.87 -42.32 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.687 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 35.9 t-20 -65.58 -44.95 85.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.085 -176.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -56.86 -43.18 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.501 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -71.59 -39.09 70.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.687 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 19.5 ptp -72.98 -13.67 61.28 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.5 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 73.2 mmtt . . . . . 0 C--O 1.222 -0.352 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.9 m . . . . . 0 C--O 1.236 0.353 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.8 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.27 0.356 . . . . 0.0 110.943 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -42.24 92.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.374 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HG2' HD22 ' A' ' 59' ' ' LEU . 19.5 mt-30 -65.32 -50.46 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.622 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.61 -43.94 93.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.349 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.22 -52.01 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.174 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.11 -47.2 83.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.648 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.68 -40.38 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.655 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -60.55 -48.1 83.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.475 177.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -66.74 -34.67 78.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.774 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -69.74 -22.0 63.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.58 -28.6 28.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.112 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 18.5 mmt180 -79.43 -53.79 6.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.149 0.5 . . . . 0.0 110.192 177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -112.83 158.85 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.637 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.483 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.66 -48.23 80.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.282 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -149.57 176.09 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.667 0.27 . . . . 0.0 110.419 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.98 137.39 32.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.291 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.2 m -79.38 174.46 11.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.797 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.98 -41.84 97.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.45 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -75.07 -26.95 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.122 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -76.23 -37.19 58.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.113 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.12 -39.76 90.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -73.49 -31.88 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.115 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.1 tp10 -62.06 -53.84 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.287 175.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -35.14 74.44 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -53.68 -48.03 69.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.137 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.39 -34.85 75.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.03 0.443 . . . . 0.0 110.531 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 54' ' ' GLU . 27.7 mt -72.99 -43.65 58.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.153 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 33' ' ' GLN . 79.0 mt -90.11 6.62 41.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.569 -174.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.96 29.48 14.41 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.796 0.807 . . . . 0.0 110.684 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.66 -178.64 3.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.791 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 t -104.66 150.84 24.36 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.97 -35.31 69.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -61.4 -40.46 94.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.322 0.582 . . . . 0.0 109.74 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.19 -45.51 63.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.16 -40.67 75.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.346 -174.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -70.4 -42.96 70.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.3 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 110.777 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -62.2 -49.31 76.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.999 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -58.68 -40.56 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.153 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.33 -45.49 94.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.871 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.81 -42.5 66.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.025 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -56.51 -49.71 73.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.098 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.51 -38.72 87.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 61.6 mtm -63.51 -47.05 83.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.463 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.455 -176.152 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -59.85 -38.87 83.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.634 0.254 . . . . 0.0 110.387 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.9 m -58.16 -44.86 88.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' HD22 ' A' ' 59' ' ' LEU . 24.5 mt-30 -68.24 -45.91 71.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.156 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.4 mt -56.93 -46.06 82.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.754 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.28 -47.02 87.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' THR . 98.3 t -64.26 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.91 -46.39 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.74 -36.89 78.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.521 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.673 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.4 t70 -65.03 -44.68 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.182 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HG2' HD21 ' A' ' 55' ' ' LEU . 2.4 tpt180 -58.62 -47.61 83.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.733 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 28.9 m-85 -67.59 -22.87 65.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.115 0.483 . . . . 0.0 111.39 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.43 -23.71 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 19.4 mmt180 -90.97 -43.46 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 64.3 tt0 -136.04 136.51 40.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -62.72 -26.95 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -171.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -135.23 164.01 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.046 0.45 . . . . 0.0 111.2 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.78 137.93 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.71 174.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -83.76 -176.29 6.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.02 0.438 . . . . 0.0 110.231 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.57 -39.8 94.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.535 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -76.7 -29.2 56.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 54' ' ' GLU . 25.9 mt-30 -76.94 -30.06 55.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.59 -36.78 70.96 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.858 -0.526 . . . . 0.0 110.635 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.64 -31.62 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 173.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 26.7 tt0 -58.95 -55.07 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.618 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 40' ' ' ARG . 1.7 mm? -64.32 -37.44 87.49 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.3 p -61.29 -45.77 93.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.019 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.59 -32.21 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.68 0.276 . . . . 0.0 111.503 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 24.3 mt -70.56 -53.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.977 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 33' ' ' GLN . 47.5 mt -83.5 8.47 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.461 -171.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t30 63.71 36.68 10.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.793 0.806 . . . . 0.0 110.25 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.8 -177.6 3.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.381 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.5 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 40.4 t -107.11 148.66 28.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.8 -42.25 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.034 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.41 -40.3 96.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.5 ' NE2' ' HB3' ' A' ' 62' ' ' SER . 2.5 mp0 -73.58 -34.19 64.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.336 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' A' ' 56' ' ' SER . 74.0 t -76.75 -38.62 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.043 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -63.34 -42.36 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.191 0.52 . . . . 0.0 110.069 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.3 m -70.04 -38.43 75.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.389 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -61.46 -45.47 94.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 85.9 t80 -57.55 -46.53 83.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.665 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -68.71 -36.29 78.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.75 -47.43 78.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.28 0.562 . . . . 0.0 109.914 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -63.08 -42.65 99.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.108 0.48 . . . . 0.0 109.974 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -66.85 -44.39 81.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.128 -177.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.2 ptp -67.27 -32.85 74.14 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.208 -176.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.861 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -55.46 -56.04 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.058 0.224 . . . . 0.0 111.321 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 36' ' ' VAL . 23.3 m -55.97 -40.01 72.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.285 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG2' HD22 ' A' ' 59' ' ' LEU . 57.4 mt-30 -59.5 -48.97 79.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.605 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -40.46 92.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.74 -43.13 98.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.96 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.604 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 88.4 t -66.14 -41.06 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.833 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 96.0 mt -57.04 -46.42 82.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.274 0.559 . . . . 0.0 110.076 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.597 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 46.2 t30 -64.29 -43.48 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.114 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.567 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 7.2 t70 -55.24 -47.23 75.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.604 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -53.18 -48.43 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 178.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 26.0 m-85 -73.85 -22.13 59.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 26.9 mm-40 -73.06 -46.88 49.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.997 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.1 mmt180 -72.08 -37.31 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 0.0 110.299 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -140.9 135.73 31.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HE2' ' CE2' ' A' ' 46' ' ' TYR . 20.9 ptmt -64.55 -22.59 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HE2' ' A' ' 45' ' ' LYS . 44.9 m-85 -137.91 168.24 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.644 0.259 . . . . 0.0 110.349 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 70' ' ' PHE . 92.6 mt -90.05 127.79 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -86.24 177.71 7.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.908 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.94 -35.9 81.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.586 0.708 . . . . 0.0 109.437 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -73.73 -40.37 63.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.734 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -66.57 -42.06 87.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.422 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.0 ptp -67.6 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.376 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.92 -34.28 68.96 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.344 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.5 -50.15 70.76 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.33 -50.94 68.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.676 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.512 ' HB3' HG21 ' A' ' 66' ' ' VAL . 16.3 p -59.78 -37.62 79.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.858 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -73.39 -32.73 64.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 0.0 110.983 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.7 mt -72.52 -44.33 61.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' HG2' ' A' ' 33' ' ' GLN . 38.2 mt -92.15 0.47 57.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.333 -174.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.66 44.54 20.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.002 0.906 . . . . 0.0 110.008 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.3 tp -109.15 168.08 9.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.452 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 26.4 t -76.14 137.11 39.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.32 -34.99 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.559 0.695 . . . . 0.0 109.627 174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -70.59 -38.17 73.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.005 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 28.9 mm-40 -68.16 -42.2 80.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 56' ' ' SER . 98.2 t -64.0 -45.94 95.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.409 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 7.7 tmtt? -61.61 -41.44 97.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.194 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.43 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 91.9 m -72.37 -34.67 68.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.606 -177.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -56.0 27.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.416 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.428 ' HB3' HD12 ' A' ' 47' ' ' LEU . 3.4 p90 -70.82 -32.44 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.665 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 75' ' ' MET . 85.4 mt-30 -65.27 -50.13 66.92 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -65.9 -32.48 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -62.11 -53.36 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.126 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -72.53 -15.77 61.77 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.402 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 71' ' ' GLN . 72.1 mmm -63.01 -49.87 72.93 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.79 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.448 -0.543 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.4 m -57.02 -31.75 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.295 0.372 . . . . 0.0 111.562 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m -59.95 -43.52 94.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.033 0.444 . . . . 0.0 110.648 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.549 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.5 mt-30 -73.68 -40.57 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.64 -46.56 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.113 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.58 -40.31 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.84 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 65.6 t -60.18 -49.0 85.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.581 0.229 . . . . 0.0 110.542 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.27 -47.12 87.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.793 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 51.5 t30 -65.52 -38.92 91.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.1 t70 -61.55 -45.37 94.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.105 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 15.1 mmt180 -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.76 -27.56 66.62 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.021 0.438 . . . . 0.0 111.381 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 15.1 mm100 -82.54 -31.95 28.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.184 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 27.7 mmt180 -74.86 -49.96 18.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.401 0.619 . . . . 0.0 109.489 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' OE1' ' HB2' ' A' ' 43' ' ' ARG . 21.5 mp0 -124.61 134.76 52.82 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.96 -42.95 99.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -138.96 149.85 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.06 142.18 27.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.9 t -83.51 179.58 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.982 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.65 -34.86 79.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.645 -174.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -75.97 -32.13 59.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.167 0.508 . . . . 0.0 110.154 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -75.25 -32.54 61.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.862 -174.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptp -67.09 -40.55 86.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.006 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' SER . 3.6 pt20 -74.17 -32.02 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.054 175.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 58' ' ' ILE . 34.7 tt0 -58.95 -48.77 80.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.043 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -37.14 81.07 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 37.0 t -51.95 -41.87 62.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.341 176.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.98 -33.22 73.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.3 mt -69.32 -38.78 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.316 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.549 HD22 ' HG2' ' A' ' 33' ' ' GLN . 69.9 mt -97.3 5.64 49.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.196 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 54.23 45.86 26.45 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.921 0.867 . . . . 0.0 110.129 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.55 -176.88 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.763 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 24.2 t -94.79 140.7 29.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.17 -35.76 72.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -64.82 -36.27 83.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.6 mm-40 -70.95 -46.34 62.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.489 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.55 -40.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.083 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 14.2 tmtt? -64.41 -44.68 90.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.162 0.506 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m -74.89 -37.93 61.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.86 -45.5 82.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.536 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 29.1 mm-40 -63.63 -46.4 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.493 . . . . 0.0 110.879 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.789 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 28.2 t-20 -71.93 -30.69 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.238 -175.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 42.8 tp60 -68.81 -38.98 80.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 74' ' ' ARG . 25.5 tpt180 -72.92 -39.24 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.211 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.789 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 18.2 ptp -68.19 -28.2 67.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.701 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HZ2' ' HA ' ' A' ' 73' ' ' GLN . 9.0 ptpp? . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.687 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -53.9 -42.01 68.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.389 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.5 p -62.19 -45.61 92.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.98 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 35.0 tt0 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.949 -175.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.755 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -64.05 -40.2 95.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.923 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 32' ' ' THR . 92.8 t -66.89 -38.69 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 111.022 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 97.9 mt -63.92 -43.46 95.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 110.308 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -67.52 -36.61 81.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -53.44 -43.88 68.4 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.627 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 55' ' ' LEU . 6.8 mpt_? -76.25 -52.03 10.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.564 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.85 -20.76 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.59 -42.13 29.94 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.528 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -100.94 -8.66 22.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.815 0.34 . . . . 0.0 111.553 -174.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.797 ' HG2' HE22 ' A' ' 51' ' ' GLN . 7.0 tp60 -134.48 136.57 43.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.26 -38.66 91.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.761 0.315 . . . . 0.0 111.231 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -151.15 165.18 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.64 121.93 25.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.38 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -75.98 173.95 10.59 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.625 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.4 mt -66.22 -39.45 89.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.23 0.538 . . . . 0.0 109.954 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -67.5 -34.5 77.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.02 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.797 HE22 ' HG2' ' A' ' 44' ' ' GLN . 43.4 mt-30 -75.16 -44.45 46.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.077 -175.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.6 ptp -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.615 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 pt20 -74.23 -34.95 63.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.222 0.534 . . . . 0.0 110.277 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.07 -50.98 68.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.461 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 40' ' ' ARG . 3.5 mm? -58.58 -42.07 87.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.673 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 10.7 p -62.83 -38.77 92.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.122 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.57 -37.96 83.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.762 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.6 mt -75.31 -46.14 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.73 5.77 12.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.734 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER 60.04 34.27 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.189 0.518 . . . . 0.0 110.507 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.99 177.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.879 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.72 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 25.3 t -93.6 145.48 24.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 75.8 t80 -57.2 -36.13 70.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.095 176.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.19 -38.87 91.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.68 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.72 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.4 mm-40 -68.12 -44.98 74.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.074 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 78.6 t -69.49 -42.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.911 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 8.1 tmtt? -61.94 -42.59 99.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.432 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.7 m -71.5 -40.79 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -60.55 -41.94 95.53 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.17 -48.09 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.54 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.512 . . . . 0.0 111.142 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -67.41 -45.07 77.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.827 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -64.52 -37.5 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.319 0.581 . . . . 0.0 109.821 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -70.9 -47.97 56.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.474 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.632 -173.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.225 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 p -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.412 0.445 . . . . 0.0 110.749 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.8 p -59.08 -48.07 82.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -57.53 -48.41 79.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.549 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.62 -29.94 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.623 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.81 -46.51 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.05 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' THR . 57.4 t -64.74 -41.01 91.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.004 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.63 -43.47 96.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.014 0.435 . . . . 0.0 110.225 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.502 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.39 -45.26 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.227 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HB3' HD21 ' A' ' 47' ' ' LEU . 9.0 mpt_? -77.16 -51.45 10.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.532 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -72.95 -20.57 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -170.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -94.03 -8.45 39.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.985 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -109.86 -25.12 10.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.04 0.448 . . . . 0.0 111.188 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.831 HE21 ' HA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -112.55 169.97 8.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -80.97 -46.61 14.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 0.0 109.85 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.676 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 49.9 m-85 -153.84 179.74 8.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 51' ' ' GLN . 63.1 mt -104.19 135.89 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.151 0.501 . . . . 0.0 110.813 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -86.68 -177.42 6.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.798 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.03 -36.29 79.14 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.782 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -73.88 -36.29 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.323 0.583 . . . . 0.0 110.331 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.574 ' HB3' HD22 ' A' ' 47' ' ' LEU . 91.9 mt-30 -76.38 -31.23 57.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.913 -175.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 -35.28 65.46 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.313 -0.242 . . . . 0.0 111.139 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.445 HE21 ' HB3' ' A' ' 53' ' ' GLN . 2.5 pt20 -73.98 -31.81 63.15 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 110.349 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 23.4 tt0 -62.52 -49.21 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HB3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -51.94 -51.44 57.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.966 -178.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -60.34 -37.75 81.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -66.48 -36.87 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.433 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.2 mt -72.84 -43.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.077 0.465 . . . . 0.0 111.437 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.63 7.99 43.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.897 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.66 52.75 9.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.896 0.855 . . . . 0.0 109.881 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.0 175.36 7.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.639 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.487 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 46.8 t -93.9 146.42 23.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.228 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -56.15 -40.03 73.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.586 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -36.85 84.01 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.329 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 98.6 mt-30 -65.2 -43.45 91.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.181 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 55' ' ' LEU . 87.9 t -71.03 -41.94 76.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.691 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -63.37 -37.83 88.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.429 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.0 m -66.5 -43.09 86.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -63.95 -44.06 93.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 44.7 t80 -56.1 -49.64 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.033 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.04 -39.76 95.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -66.87 -46.98 73.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.37 -41.57 97.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -68.09 -37.14 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.4 mtm -70.79 -39.64 73.01 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.689 ' HA ' ' HE2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.67 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.457 -0.095 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -57.04 -35.61 69.52 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.689 0.28 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m -55.61 -46.28 77.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 110.348 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 13.0 mt-30 -70.66 -44.43 67.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.82 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.02 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.467 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.7 m -56.1 -44.97 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.497 0.189 . . . . 0.0 110.704 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 92.1 t -65.4 -44.86 94.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 90.0 mt -64.31 -45.33 88.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.148 0.499 . . . . 0.0 110.894 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.31 -32.73 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.98 -43.64 86.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 9.9 mpt_? -66.84 -47.43 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.79 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.35 -22.92 63.82 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -79.87 -27.25 40.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -103.21 -16.54 15.67 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.489 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -146.92 144.25 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -65.23 -46.88 78.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -145.0 169.21 18.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.464 0.173 . . . . 0.0 110.718 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.49 150.55 20.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -91.78 -179.45 5.33 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.537 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.4 tm? -64.11 -39.21 93.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.727 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.29 -28.2 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.049 0.452 . . . . 0.0 110.7 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.04 -40.6 53.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 ptp -62.95 -35.62 80.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.442 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.14 -33.43 63.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.087 175.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.9 tt0 -65.6 -53.76 37.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.8 -35.3 74.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 t -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.951 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -70.23 -37.32 74.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 0.0 110.934 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 54' ' ' GLU . 14.2 mm -66.54 -40.58 86.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.02 1.73 57.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.678 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 53.76 39.69 30.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.047 0.927 . . . . 0.0 109.808 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.39 177.35 4.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.992 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 31.4 t -87.36 148.07 25.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.312 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.08 -32.95 70.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.615 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.6 -35.71 81.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.545 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 55.2 mt-30 -72.24 -43.77 63.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -73.39 -37.91 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.237 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.3 -45.55 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.541 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -66.77 -36.63 82.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 42.4 t90 -60.28 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -56.04 -44.25 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.912 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -58.13 -48.23 80.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.462 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.24 -36.54 63.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.07 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 15.7 mm100 -61.11 -40.86 95.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -67.86 -39.49 83.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.262 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 70.8 mtm -66.96 -34.92 78.82 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.973 -178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.861 0.363 . . . . 0.0 110.667 175.081 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.6 m -64.44 -45.63 86.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.482 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.593 ' HA ' HD22 ' A' ' 59' ' ' LEU . 90.3 mt-30 -64.66 -45.48 86.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.27 -46.79 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.074 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.32 -35.55 81.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.991 -176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.588 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 90.9 t -68.06 -43.88 85.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 110.251 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -43.13 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.1 0.476 . . . . 0.0 110.579 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.68 -53.4 34.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.251 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.12 -38.57 88.5 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.196 -173.033 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -52.08 -52.26 52.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.587 0.232 . . . . 0.0 111.276 173.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.96 -21.33 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -80.12 -27.31 39.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.676 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.7 mmm180 -90.53 -37.73 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -129.33 155.69 45.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.73 -49.04 76.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.089 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -143.7 -165.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -117.24 139.63 50.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.461 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' ' HG3' ' A' ' 51' ' ' GLN . 32.7 t -80.64 176.79 9.49 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -40.33 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.014 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.43 -36.32 80.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.363 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.5 ' HG3' ' HB3' ' A' ' 48' ' ' SER . 43.5 mt-30 -75.07 -42.33 57.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.514 -175.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -65.48 -42.94 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.593 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -36.17 68.27 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.626 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.674 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.5 tp10 -69.82 -42.54 73.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.23 -35.88 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.58 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -56.13 -48.19 76.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.76 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 21.5 t30 -59.83 -41.47 91.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.212 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.674 HG13 ' O ' ' A' ' 54' ' ' GLU . 39.4 mt -69.23 -46.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.375 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -88.09 3.64 48.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 60.89 31.71 20.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.52 0.676 . . . . 0.0 109.819 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.92 -176.66 3.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.238 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -98.25 146.56 25.52 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -57.93 -34.36 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.311 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.2 -43.81 93.92 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 15.0 mm-40 -67.98 -41.6 82.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.1 -40.64 75.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.755 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -62.54 -43.94 97.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.645 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.2 m -60.86 -38.38 85.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.308 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -51.37 69.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.22 0.533 . . . . 0.0 110.317 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -40.57 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.228 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -73.1 -28.77 62.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.047 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 75' ' ' MET . 10.9 t-20 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.535 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 13.9 mm100 -58.38 -41.44 84.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 173.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 15.0 mmm180 -64.36 -44.81 90.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -71.66 -25.39 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.757 -174.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' OE1' ' A' ' 73' ' ' GLN . 14.0 ptmm? . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 t -60.57 -37.04 80.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.995 0.426 . . . . 0.0 109.972 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.3 m -66.15 -41.08 90.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.695 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.35 -49.96 75.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.504 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.43 -30.72 69.67 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.672 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 45.7 t -66.18 -45.51 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.119 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.76 -44.04 94.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.423 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 11.4 t-20 -60.34 -49.06 79.11 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.4 t70 -56.66 -50.1 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.111 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 14.1 mmt180 -62.3 -40.82 97.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.222 -175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -71.73 -22.44 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.095 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 16.0 mm100 -80.27 -25.21 39.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 174.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.3 mmt180 -83.33 -50.3 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.303 0.573 . . . . 0.0 110.115 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -126.94 153.11 46.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.002 -172.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.28 -51.43 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.487 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.682 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -147.32 152.98 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.171 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.37 144.52 34.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.838 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -79.0 177.38 8.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -40.3 94.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.431 -175.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -71.97 -36.65 69.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.628 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -70.98 -37.25 72.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.884 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.9 ptp -66.19 -44.55 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.29 -34.69 65.91 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 58' ' ' ILE . 8.0 tp10 -59.81 -53.24 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.36 -41.22 72.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.004 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -53.69 -54.39 38.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.5 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -66.73 -31.6 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.7 mt -70.46 -40.74 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.098 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 59' ' ' LEU . 4.4 mm? -93.76 7.78 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.096 -177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 60.63 36.68 19.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.979 0.895 . . . . 0.0 110.084 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.15 174.18 5.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.234 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -96.57 140.11 31.68 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.322 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.82 -30.49 67.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.235 0.54 . . . . 0.0 109.742 174.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.11 -39.44 93.11 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.462 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 10.4 mm-40 -75.38 -44.12 46.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.496 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.45 -41.75 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.943 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 70' ' ' PHE . 1.1 tmmt? -69.03 -39.91 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.054 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.0 m -68.22 -40.29 82.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.837 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 11.8 t90 -65.91 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.682 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 68.2 t80 -58.64 -45.19 89.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.552 173.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 74.0 mm-40 -65.94 -28.34 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.746 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 95.4 m-20 -66.49 -42.14 87.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.467 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.96 -37.36 79.33 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 1.9 mmp_? -64.09 -41.55 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.206 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.471 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 17.0 ptp -73.49 -34.89 65.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.766 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 97.7 mttt . . . . . 0 N--CA 1.465 0.282 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.552 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.681 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 38.8 ttmt -116.91 114.83 24.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 172.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -98.35 88.81 0.72 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.757 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.681 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 3.1 Cg_exo -78.68 64.01 8.6 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.894 2.396 . . . . 0.0 112.652 -173.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -72.62 -18.99 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.738 0.78 . . . . 0.0 110.252 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -154.17 -177.39 6.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.834 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.34 79.57 0.24 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.582 0.706 . . . . 0.0 111.318 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.61 176.1 5.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.348 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -95.26 90.15 5.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 m -56.27 110.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.529 -174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.8 t 60.35 83.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.27 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.95 -65.98 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.804 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -179.08 169.49 1.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.82 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -125.51 139.25 53.78 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -78.57 -30.65 46.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.556 0.693 . . . . 0.0 109.24 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.74 128.46 54.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.778 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.626 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 54.8 mtmt -125.07 40.93 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 176.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG13 ' HD2' ' A' ' 21' ' ' LYS . 61.9 t -104.98 90.43 3.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.77 -177.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.626 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 23.1 Cg_exo -63.66 91.23 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.967 2.445 . . . . 0.0 113.26 -176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.6 t 48.26 88.0 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 114.966 -1.015 . . . . 0.0 113.092 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD2' HG13 ' A' ' 18' ' ' VAL . 99.3 mttt -138.17 160.5 39.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.339 176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 tptt 70.15 20.83 6.2 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.665 0.603 . . . . 0.0 110.5 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 67.04 -165.34 0.22 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.783 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -108.68 142.3 39.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.688 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 17.7 p -93.83 30.39 1.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.731 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 25' ' ' THR . 10.4 mmt180 67.78 -74.64 0.07 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.527 0.517 . . . . 0.0 110.511 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.2 p -90.32 139.2 30.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 174.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.14 154.61 15.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.836 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -108.49 144.82 35.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.427 ' HB3' ' OE1' ' A' ' 33' ' ' GLN . 47.0 t -90.68 154.35 19.63 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.0 m -63.89 -22.69 67.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -61.86 -52.07 65.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.252 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -65.14 -45.87 83.25 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 178.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.21 -42.51 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.542 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -42.87 93.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.964 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.7 t -66.31 -42.29 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.82 0.343 . . . . 0.0 110.614 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 95.1 mt -60.4 -49.39 77.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 58.2 t30 -66.84 -41.22 87.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.545 -176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.664 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 20.1 t70 -60.67 -50.88 71.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.711 177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -64.36 -35.2 80.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.287 -177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -69.35 -26.2 64.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.164 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 14.8 mm100 -86.73 -37.62 17.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.7 mmt180 -74.15 -46.36 42.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.105 0.479 . . . . 0.0 110.363 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -100.05 -178.64 3.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.752 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -76.41 -55.03 5.91 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.259 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -164.55 -170.43 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.922 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.5 mt -93.54 120.95 34.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 110.021 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 t -78.64 177.15 8.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.855 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 52' ' ' MET . 51.0 tp -60.79 -38.96 87.11 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.305 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.732 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 9.0 tt0 -77.33 -42.58 36.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.392 178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.26 -34.76 68.95 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 22.6 ptp -64.31 -34.66 78.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.247 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.732 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 -75.77 -35.68 60.05 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.567 178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 58' ' ' ILE . 1.9 mp0 -58.54 -53.74 54.88 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 109.97 172.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.26 -43.58 83.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.481 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 t -53.35 -46.4 69.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.747 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.31 -36.45 82.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.654 HG13 ' O ' ' A' ' 54' ' ' GLU . 28.6 mt -70.09 -44.91 77.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.088 -175.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 59' ' ' LEU . 3.4 mm? -90.01 7.27 38.41 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.507 -175.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 61.19 31.33 19.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.697 0.761 . . . . 0.0 110.343 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -107.97 -178.0 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.667 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.839 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.2 t -99.83 143.77 29.68 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.138 0.494 . . . . 0.0 110.856 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.64 -30.98 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.555 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -69.81 -36.77 75.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.139 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.839 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 10.5 mm100 -75.22 -44.89 43.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.41 -39.97 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.33 -46.2 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.972 0.415 . . . . 0.0 110.761 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -64.71 -40.65 95.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.462 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.94 -47.24 86.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.042 0.449 . . . . 0.0 110.039 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -61.83 -47.73 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.273 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -67.51 -30.44 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.651 0.262 . . . . 0.0 111.639 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -69.93 -47.59 61.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.076 0.465 . . . . 0.0 109.897 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 86.2 mm-40 -65.14 -29.45 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.148 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.481 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -77.31 -14.56 59.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -171.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 64.6 pttt -61.23 -28.42 69.15 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.312 -177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -70.42 -29.21 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.214 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -92.99 -45.5 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.698 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 80' ' ' TRP . 68.7 mtp180 -108.86 -78.21 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.774 -177.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.42 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 51.0 t-105 173.9 155.88 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -82.77 135.26 35.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.981 0.419 . . . . 0.0 110.415 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.27 138.5 54.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.313 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -42.76 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.1 t30 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.778 -179.772 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.408 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 32.1 t . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -164.16 26.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.353 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -53.5 144.46 32.46 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.398 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.53 -4.71 15.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.798 2.332 . . . . 0.0 112.525 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.89 81.45 8.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.181 0.515 . . . . 0.0 112.246 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -107.94 -39.95 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 171.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.0 -83.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.739 -1.118 . . . . 0.0 108.594 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -137.73 172.55 12.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 170.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -92.11 140.98 29.1 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.645 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.621 ' O ' HG22 ' A' ' 11' ' ' VAL . 17.0 m -89.55 139.36 30.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 10' ' ' SER . 1.6 m 59.28 170.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.221 1.008 . . . . 0.0 111.254 -173.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.35 101.82 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.437 0.636 . . . . 0.0 111.402 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -78.94 62.02 3.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.423 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 32.6 mmtp 65.1 56.31 1.04 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.126 -171.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 71.69 164.59 0.28 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 113.919 -1.492 . . . . 0.0 112.221 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -91.06 110.47 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.04 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -79.22 67.78 5.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.903 -171.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG12 HG23 ' A' ' 20' ' ' VAL . 61.6 t -134.0 86.1 38.42 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-O 121.014 0.435 . . . . 0.0 110.534 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.93 101.9 0.67 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.186 2.591 . . . . 0.0 111.66 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG23 HG12 ' A' ' 18' ' ' VAL . 40.0 t -122.58 77.0 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.536 0.684 . . . . 0.0 110.473 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -164.76 141.58 6.09 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.569 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -76.32 75.42 3.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.211 0.529 . . . . 0.0 109.989 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.403 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 28.0 pt20 -143.75 125.07 14.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 111.364 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -121.9 96.68 5.16 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 168.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.37 16.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.958 -166.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 69.55 -70.61 0.14 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.038 0.447 . . . . 0.0 111.088 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -98.83 142.85 29.84 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.262 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.39 163.89 36.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.212 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' HD1' HE21 ' A' ' 33' ' ' GLN . 97.8 m-85 -100.72 152.88 19.95 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 m -67.87 163.16 22.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.471 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -52.6 -48.03 66.56 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.7 m -65.19 -41.55 94.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.838 0.351 . . . . 0.0 110.734 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.493 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.8 mt-30 -62.2 -48.02 81.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 29' ' ' PHE . 66.9 mt -60.23 -46.05 91.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.71 -49.8 75.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.342 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 42.0 t -66.53 -40.55 86.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.745 -177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.77 -47.89 81.55 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.94 -33.75 70.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.32 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -54.25 -44.94 72.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.094 0.473 . . . . 0.0 110.588 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 18.2 mmm180 -65.27 -42.58 93.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.97 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -74.15 -21.58 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.475 0.655 . . . . 0.0 111.213 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -76.75 -49.94 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 43' ' ' ARG . 59.5 mtt-85 -94.36 -10.42 32.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.524 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -139.76 156.49 46.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.763 0.316 . . . . 0.0 111.546 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -149.3 172.86 14.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.256 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -77.97 136.14 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.751 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.2 m -84.47 174.45 10.05 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.72 -41.66 98.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -72.47 -35.83 68.32 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.761 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 73.7 mt-30 -75.56 -31.19 59.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -174.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.8 ptp -68.85 -40.18 79.53 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.627 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.29 -34.15 63.45 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.532 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 58' ' ' ILE . 27.2 tt0 -63.87 -50.06 70.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.094 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 0.2 OUTLIER -58.92 -39.42 81.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 178.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -53.92 -45.26 71.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.29 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.08 83.28 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 54' ' ' GLU . 32.4 mt -65.41 -42.45 93.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.803 -175.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD22 ' HG2' ' A' ' 33' ' ' GLN . 34.0 mt -93.33 1.4 56.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.303 -174.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 t30 58.52 38.7 25.42 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.946 0.879 . . . . 0.0 110.08 -176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.9 mt -108.03 -176.68 3.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.452 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 t -98.81 142.14 30.72 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -53.97 -37.68 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.644 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.35 -37.48 80.54 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.194 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -69.2 -43.15 74.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.446 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.31 -39.15 78.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.963 0.411 . . . . 0.0 110.304 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -64.02 -49.43 72.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.941 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -64.43 -46.92 81.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.267 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 t90 -59.18 -48.33 82.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.391 . . . . 0.0 110.111 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -56.64 -51.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.325 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.515 ' HG3' ' HE1' ' A' ' 75' ' ' MET . 22.2 tp60 -62.73 -36.85 84.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 111.088 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -67.75 -51.04 53.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.75 -36.51 83.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.062 178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.75 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.24 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.515 ' HE1' ' HG3' ' A' ' 71' ' ' GLN . 74.5 mtm -78.53 -41.16 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' HG3' ' HB2' ' A' ' 81' ' ' GLN . 91.9 mttt -73.86 -22.61 59.69 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.9 p -74.99 -26.89 59.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 111.179 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.52 -43.37 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.932 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -137.56 -76.48 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.776 0.322 . . . . 0.0 110.947 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' LYS . 2.8 p-90 -178.63 -171.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -144.94 129.38 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -87.39 150.03 24.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.226 -177.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.53 127.86 33.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.637 -179.819 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.6 p . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 57.1 tttp -73.42 -8.69 56.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 79.4 mt-30 72.46 157.63 0.16 Allowed Pre-proline 0 N--CA 1.465 0.31 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HA ' HH12 ' A' ' 40' ' ' ARG . 33.3 Cg_exo -57.93 105.67 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -86.31 152.84 22.42 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.798 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -54.86 147.32 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.003 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.22 -176.5 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.843 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -94.14 -170.19 2.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.695 0.284 . . . . 0.0 110.898 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -83.47 170.81 14.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.92 -173.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 t 68.28 77.77 0.24 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.29 131.29 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.839 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 119.83 26.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.761 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -77.39 -25.71 51.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 1.053 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -149.18 118.8 6.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 111.746 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.7 mp0 -58.78 -46.71 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.137 176.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -85.97 24.37 1.31 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.972 -174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.13 174.67 0.29 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.761 0.663 . . . . 0.0 112.528 174.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG22 ' HB2' ' A' ' 21' ' ' LYS . 14.5 p 43.04 84.64 0.18 Allowed Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.674 176.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 49.7 Cg_exo -56.33 98.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.761 2.974 . . . . 0.0 114.645 -171.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 20' ' ' VAL . 17.0 t 58.38 39.96 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.209 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.796 ' HB2' HG22 ' A' ' 18' ' ' VAL . 5.1 mptp? -98.51 -13.76 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.545 0.688 . . . . 0.0 109.286 168.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -88.85 84.58 6.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.313 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.26 155.38 40.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.926 -174.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.0 -179.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.719 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 13.5 t -127.55 -178.87 4.64 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 25' ' ' THR . 47.1 mtp180 71.72 -70.86 0.15 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.254 0.621 . . . . 0.0 111.082 -176.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 p -140.64 145.81 37.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.96 157.24 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.969 0.414 . . . . 0.0 111.113 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -114.55 171.05 7.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.418 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 t -125.11 151.76 45.3 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -69.57 -34.9 74.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.0 m -54.91 -43.7 73.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.053 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG2' HD22 ' A' ' 59' ' ' LEU . 29.3 mt-30 -71.51 -42.71 67.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.755 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 37' ' ' LEU . 91.6 mt -64.55 -37.87 89.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.132 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.79 -42.72 98.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.849 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 32' ' ' THR . 67.6 t -63.56 -38.36 82.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 121.064 0.459 . . . . 0.0 110.511 178.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD13 ' CH2' ' A' ' 69' ' ' TRP . 73.5 mt -65.65 -42.27 91.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.284 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 44.0 t-20 -63.42 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.041 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 10.4 t70 -59.81 -56.51 20.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.585 176.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.439 HH12 ' HA ' ' A' ' 4' ' ' PRO . 2.4 mpt_? -58.98 -40.37 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.482 -177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -68.91 -20.77 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.671 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -90.38 -42.23 11.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 179.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 15.7 mmm-85 -68.7 -39.81 80.32 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.135 0.493 . . . . 0.0 110.162 -176.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -119.17 -178.02 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.465 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 12.5 mptt -88.11 -43.88 11.34 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.706 ' HB3' ' HZ ' ' A' ' 70' ' ' PHE . 64.6 m-85 -139.47 164.4 29.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.497 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 40' ' ' ARG . 9.7 mp -84.88 128.92 34.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.722 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -81.39 176.66 9.52 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.724 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.19 -36.04 80.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.427 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -72.13 -35.42 69.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.074 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -70.32 -41.89 72.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.553 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 19.9 ptp -68.33 -34.78 76.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.643 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.83 -32.43 61.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.702 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 58' ' ' ILE . 37.5 tt0 -64.96 -48.38 74.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 109.868 175.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.2 tp -60.39 -44.81 95.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.575 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.5 p -62.88 -32.24 73.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.065 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.09 -42.81 88.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.832 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.5 mt -72.24 -47.03 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.533 -174.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG2' ' A' ' 33' ' ' GLN . 77.3 mt -86.99 6.25 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 54.53 57.32 5.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.393 0.616 . . . . 0.0 110.658 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.6 164.54 24.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.69 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.401 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 19.9 t -72.86 141.03 47.94 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.288 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 52' ' ' MET . 56.5 t80 -57.4 -36.05 70.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.4 -40.12 85.61 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.091 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 25.3 mm-40 -67.92 -41.33 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.742 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.53 HG21 ' HB3' ' A' ' 56' ' ' SER . 79.9 t -68.89 -39.85 80.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.266 0.555 . . . . 0.0 110.039 178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.44 -44.66 93.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.718 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.0 m -70.3 -43.37 70.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.001 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.449 ' CH2' HD13 ' A' ' 37' ' ' LEU . 64.0 t90 -60.73 -43.99 97.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 110.226 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.706 ' HZ ' ' HB3' ' A' ' 46' ' ' TYR . 68.1 t80 -61.02 -49.32 77.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.967 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -66.01 -28.7 69.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.612 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 23.9 t-20 -69.84 -45.65 67.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.219 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 81.9 mm-40 -64.57 -31.72 73.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.12 0.486 . . . . 0.0 110.224 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.33 -41.79 69.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.037 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.612 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 23.0 ptp -72.0 -29.04 63.81 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.695 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.8 mmtp -61.72 -37.53 84.52 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.213 0.53 . . . . 0.0 109.834 173.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.3 m -75.3 -27.16 59.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.44 -177.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 78' ' ' LYS . 2.0 tmmm? -67.99 -64.57 0.83 Allowed 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -144.42 -75.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.504 0.669 . . . . 0.0 110.746 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -167.02 95.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HA ' ' HG3' ' A' ' 75' ' ' MET . 1.4 mp0 58.28 -172.0 0.1 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.532 -166.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -100.17 66.66 1.33 Allowed 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.953 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -115.35 102.77 10.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.949 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.324 -173.398 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 70.91 2.6 4.27 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.233 0.613 . . . . 0.0 112.094 176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 59.13 87.11 0.14 Allowed Pre-proline 0 N--CA 1.465 0.319 0 O-C-N 123.394 0.434 . . . . 0.0 111.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.42 ' HB2' ' NH2' ' A' ' 40' ' ' ARG . 16.6 Cg_exo -67.46 -166.47 0.13 Allowed 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.764 2.309 . . . . 0.0 112.203 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 m 71.84 81.28 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.453 0.644 . . . . 0.0 109.934 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -143.21 -62.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.897 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.98 -0.89 28.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.26 3.13 21.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.1 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -66.33 96.14 0.34 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.612 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 p -166.53 102.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.607 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.38 151.84 6.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 57.1 62.94 2.04 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.557 0.694 . . . . 0.0 109.593 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 56.5 tptt -81.7 -13.52 57.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.857 -172.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER 65.58 46.37 2.47 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 1.5 pm0 -72.63 -25.49 61.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.603 -1.635 . . . . 0.0 110.596 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.44 -168.92 1.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.826 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -156.61 129.62 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -118.75 89.56 38.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.829 -171.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.34 173.12 9.14 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.352 2.035 . . . . 0.0 110.814 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 t -80.57 72.51 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.657 0.742 . . . . 0.0 110.195 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.2 tttt 70.44 80.22 0.17 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.979 -1.464 . . . . 0.0 111.223 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -96.43 -49.92 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.119 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -138.19 169.66 17.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.513 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 46.0 mtpt -103.01 98.75 8.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.984 0.421 . . . . 0.0 111.043 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -88.6 101.7 14.22 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -66.15 -69.24 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.021 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.1 p -100.4 139.18 36.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.719 0.295 . . . . 0.0 110.696 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -142.45 161.13 19.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.645 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.415 ' HB3' ' HB2' ' A' ' 33' ' ' GLN . 88.9 m-85 -101.65 173.52 6.38 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 172.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . 16.2 m -70.41 154.64 41.67 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 m -51.69 -46.35 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.228 0.33 . . . . 0.0 110.789 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 11.5 m -58.99 -41.63 88.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.454 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.701 ' HG2' ' HB2' ' A' ' 30' ' ' SER . 6.3 mm100 -67.72 -44.29 77.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.075 0.464 . . . . 0.0 109.833 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.24 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.851 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.2 t -58.06 -46.77 84.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.448 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.636 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 94.7 t -60.14 -42.12 89.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.014 0.435 . . . . 0.0 110.456 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.56 -46.96 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.775 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -66.79 -44.78 80.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 43' ' ' ARG . 7.7 t70 -59.14 -48.29 82.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.143 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 6.2 mpt_? -64.82 -45.92 84.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 16.2 m-85 -69.91 -21.19 63.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.498 . . . . 0.0 111.156 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -74.41 -30.78 62.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.356 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 39' ' ' ASP . 37.7 mtt180 -90.01 -43.3 10.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.328 -178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 78.9 mt-30 -129.01 136.87 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.634 177.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.92 -43.16 96.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.21 150.05 48.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.522 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.8 148.98 29.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 m -80.83 175.7 10.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.983 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.27 -42.79 83.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.65 -26.87 63.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.182 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -74.87 -43.24 55.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.822 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.5 -38.26 90.4 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.551 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.85 -32.98 63.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.804 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 9.4 tp10 -71.64 -38.03 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.3 tp -59.52 -46.96 87.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.514 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.434 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 3.3 p -60.37 -37.19 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.532 177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.93 -38.62 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.232 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 26.4 mt -70.91 -44.21 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.949 0.404 . . . . 0.0 111.22 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD12 ' NE2' ' A' ' 33' ' ' GLN . 3.2 mm? -88.71 4.69 46.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.427 -176.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.71 33.2 20.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.5 mt -109.53 175.72 5.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.784 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 13.3 t -81.94 143.85 31.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.247 0.546 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -57.26 -36.78 71.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.288 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -71.97 -30.66 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.876 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.784 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 57.1 mt-30 -65.0 -43.83 91.25 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 91.9 t -71.75 -45.57 65.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.302 0.572 . . . . 0.0 110.604 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -58.43 -44.24 89.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.42 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.7 m -74.78 -39.14 61.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -62.71 -49.53 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -54.58 -42.54 71.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.291 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 75' ' ' MET . 6.5 tp-100 -65.71 -46.61 78.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -177.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -66.25 -38.76 88.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.622 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.52 -48.61 81.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.402 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -72.23 -25.46 61.65 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.034 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.533 ' HG2' ' HE2' ' A' ' 78' ' ' LYS . 57.4 mtm -66.91 -42.81 84.82 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.7 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -58.44 -35.69 72.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -73.14 -41.1 64.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.585 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HE2' ' HG2' ' A' ' 75' ' ' MET . 62.8 pttt -80.5 -46.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.726 -175.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -142.8 -75.79 0.27 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.129 0.49 . . . . 0.0 111.45 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -167.04 174.63 8.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.978 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -86.5 94.67 9.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.889 0.376 . . . . 0.0 110.163 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -90.81 99.05 12.15 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -77.98 -29.23 49.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.718 -175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.879 -179.219 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.557 ' HA ' ' OE1' ' A' ' 51' ' ' GLN . 56.5 p . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.465 0.174 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 mptt 66.32 90.37 0.09 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.781 0.8 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.433 ' HA ' ' HD2' ' A' ' 4' ' ' PRO . 6.1 pt20 -103.01 91.24 2.82 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.18 -176.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 3' ' ' GLN . 30.5 Cg_endo -60.1 119.86 7.31 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.848 2.365 . . . . 0.0 112.184 -174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -86.96 178.13 7.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -53.54 108.4 0.34 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.296 0.569 . . . . 0.0 111.422 -178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.63 2.68 1.24 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.126 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -86.08 175.57 8.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.661 -176.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' ND2' ' H ' ' A' ' 10' ' ' SER . 13.1 t30 -128.91 -168.08 1.87 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.516 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 18.4 t -59.37 104.68 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.104 0.478 . . . . 0.0 110.769 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.613 HG21 HG23 ' A' ' 32' ' ' THR . 33.3 t -75.71 142.16 14.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.183 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 179.47 4.74 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.145 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -69.67 -26.5 64.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.505 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -107.11 168.32 9.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.222 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 15' ' ' GLU . 1.7 mp0 -56.84 -70.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.441 0.463 . . . . 0.0 112.121 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -110.53 -173.97 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.606 ' HD3' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -87.99 27.82 1.13 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.63 0.729 . . . . 0.0 110.737 -178.152 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -129.4 72.76 81.94 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 171.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -87.51 82.01 1.12 Allowed 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.358 2.039 . . . . 0.0 112.8 -172.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.95 23.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.903 0.858 . . . . 0.0 109.018 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -111.48 87.7 2.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.141 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -96.33 39.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.587 177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.822 ' HA ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER -79.63 -3.7 48.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.389 -175.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -90.79 82.49 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.13 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.7 p -88.09 -19.99 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.712 0.768 . . . . 0.0 109.452 171.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.4 tpt85 -100.8 135.21 42.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.682 -1.145 . . . . 0.0 108.8 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.78 141.22 45.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.372 0.606 . . . . 0.0 112.113 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.93 -164.31 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.985 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HB3' HE21 ' A' ' 33' ' ' GLN . 22.6 m-30 -85.52 175.13 8.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m -72.21 158.56 35.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 p -52.48 -42.54 64.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.45 0.468 . . . . 0.0 111.888 -176.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.613 HG23 HG21 ' A' ' 11' ' ' VAL . 16.5 m -56.66 -50.82 70.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.571 ' HG2' HD22 ' A' ' 59' ' ' LEU . 8.1 mt-30 -67.58 -39.85 84.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.707 -177.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.16 -44.3 87.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.882 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.08 -41.95 94.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 32' ' ' THR . 85.1 t -64.38 -44.16 97.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.061 0.458 . . . . 0.0 110.619 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD13 ' CH2' ' A' ' 69' ' ' TRP . 95.1 mt -61.97 -49.95 74.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.98 -39.86 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.742 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.66 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 18.0 t70 -59.85 -51.49 69.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -75.17 -28.17 59.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -176.253 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -70.01 -18.63 63.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 0.0 111.002 172.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -83.57 -49.51 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.9 mmt180 -66.45 -52.66 44.01 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 109.836 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -90.73 -177.96 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 173.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 63.3 mmtt -112.04 -37.54 5.05 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.434 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.4 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 32.2 m-85 -146.99 176.87 9.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.805 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.6 mt -98.24 137.43 37.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.156 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 p -92.12 179.47 5.57 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.64 -38.04 83.47 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.672 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.74 -43.67 58.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.911 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.557 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 28.8 mt-30 -62.99 -39.65 95.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.754 -176.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.7 ptp -68.37 -38.98 81.92 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.07 -40.06 63.03 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.614 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 58' ' ' ILE . 43.9 mt-10 -71.91 -38.44 69.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.785 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.37 -39.22 89.84 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.928 0.394 . . . . 0.0 110.289 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -52.95 -47.24 68.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.933 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.86 -40.13 94.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 54' ' ' GLU . 21.7 mt -71.86 -47.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.229 -175.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 33' ' ' GLN . 89.3 mt -78.74 -0.23 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -175.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 t30 64.17 25.46 13.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.802 0.81 . . . . 0.0 110.205 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.85 173.4 6.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.915 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 26.3 t -81.46 148.47 29.23 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 64.5 t80 -61.25 -33.97 74.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.582 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.02 -36.18 79.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.874 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 56.3 mt-30 -68.07 -44.06 77.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.189 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -70.14 -42.97 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.011 0.434 . . . . 0.0 110.734 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 47.7 tttp -63.79 -50.37 69.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.328 -177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.9 m -66.24 -36.15 82.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.203 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.458 ' CH2' HD13 ' A' ' 37' ' ' LEU . 27.7 t90 -64.07 -48.82 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.021 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 54.1 t80 -59.82 -40.8 89.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.433 178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.741 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.627 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 11.5 m-80 -79.28 -44.35 21.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.082 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 70' ' ' PHE . 19.6 pt20 -61.9 -31.03 71.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.509 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -71.24 -44.23 65.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.301 178.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.627 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 21.2 ptp -78.9 -60.98 2.16 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -172.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 75' ' ' MET . 16.6 ptpt -88.03 -19.17 27.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -165.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 t -66.54 -10.44 45.06 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.154 -0.218 . . . . 0.0 111.583 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' A' ' 78' ' ' LYS . 38.5 mtpt -66.28 -32.7 74.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.575 0.226 . . . . 0.0 111.316 177.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -81.66 -28.7 33.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.835 0.35 . . . . 0.0 111.456 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -102.4 97.15 7.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.245 0.545 . . . . 0.0 110.184 -177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -101.33 23.14 11.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.714 -178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.9 97.81 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.826 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -134.41 118.29 17.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.461 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.807 -0.616 . . . . 0.0 110.271 -178.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.52 -20.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.085 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 53.37 73.33 0.94 Allowed Pre-proline 0 N--CA 1.464 0.243 0 O-C-N 123.731 0.644 . . . . 0.0 110.588 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.56 -4.83 14.45 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.612 2.208 . . . . 0.0 112.388 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -62.59 96.07 0.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.438 0.637 . . . . 0.0 110.788 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 p -138.48 8.45 2.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.162 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.08 171.07 11.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.109 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -145.21 98.71 3.2 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -128.28 174.83 8.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.6 p -121.77 -30.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.2 t 69.01 112.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 O-C-N 123.733 0.645 . . . . 0.0 111.283 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.57 81.88 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.023 0.44 . . . . 0.0 110.944 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -168.18 -58.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.441 -0.8 . . . . 0.0 108.984 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 63.18 -170.72 0.18 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.395 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HG2' ' SG ' ' A' ' 35' ' ' CYS . 66.4 mm-40 -95.77 -35.12 11.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.734 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -78.55 94.67 5.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.846 0.831 . . . . 0.0 110.728 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -93.9 135.67 34.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.321 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t 56.02 74.28 0.72 Allowed Pre-proline 0 CA--C 1.531 0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 109.809 -172.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.54 111.44 3.15 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.123 2.549 . . . . 0.0 112.826 -174.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 t -112.77 68.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm 71.82 149.86 0.09 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.141 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -138.65 -68.8 0.44 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.113 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 58.76 -164.92 0.19 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.951 0.405 . . . . 0.0 111.534 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -165.15 119.61 1.29 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.295 173.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.546 HG23 ' HD2' ' A' ' 26' ' ' ARG . 15.2 t -85.58 -0.31 54.68 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.495 0.664 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HD2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -169.49 174.44 5.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 175.471 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 p -77.92 141.35 39.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.318 0.58 . . . . 0.0 111.848 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -152.31 -168.96 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.451 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -85.76 128.66 34.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t -78.25 159.15 28.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.155 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 m -49.88 -40.04 41.52 Favored 'General case' 0 CA--C 1.528 0.111 0 O-C-N 123.622 0.576 . . . . 0.0 110.842 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 36' ' ' VAL . 7.3 m -56.64 -53.03 62.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.958 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG2' HD11 ' A' ' 59' ' ' LEU . 48.5 mt-30 -66.39 -37.93 86.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.719 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.18 -47.39 85.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.61 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.484 ' SG ' ' HG2' ' A' ' 15' ' ' GLU . 93.8 m -63.54 -36.19 82.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.373 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.547 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 77.4 t -61.72 -46.3 96.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.533 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.41 -44.15 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.034 0.445 . . . . 0.0 110.131 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -64.24 -36.42 84.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.58 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.647 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -65.01 -46.73 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.864 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 12.2 mmm180 -58.98 -41.69 88.16 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.566 0.222 . . . . 0.0 110.656 -179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.656 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 28.9 m-85 -74.35 -21.31 59.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.328 0.585 . . . . 0.0 111.372 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -38.21 59.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.573 174.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.647 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 24.8 mmt180 -69.53 -52.95 21.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 23.1 mt-30 -129.14 149.06 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.601 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -62.73 -39.29 93.64 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -140.54 157.58 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.2 mp -92.74 147.65 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.329 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 p -89.83 177.97 6.36 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.812 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 tp -64.3 -36.85 85.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.397 0.618 . . . . 0.0 109.707 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.84 -40.0 69.36 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.016 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -73.3 -34.08 65.54 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -65.35 -43.59 90.37 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.041 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.2 -31.79 64.4 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.433 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.9 tt0 -58.5 -53.96 52.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.978 173.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.04 -36.48 77.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.959 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 63' ' ' TYR . 32.3 m -53.98 -53.14 57.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.243 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.69 -33.1 75.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.862 0.363 . . . . 0.0 111.081 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.0 mt -71.37 -37.88 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 ' HG2' ' A' ' 33' ' ' GLN . 27.5 tp -92.2 0.04 57.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.18 29.2 18.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.993 0.902 . . . . 0.0 109.76 -176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.35 165.44 11.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.403 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -82.04 144.03 31.13 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.447 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' HA ' ' OG ' ' A' ' 56' ' ' SER . 20.3 t80 -53.81 -41.24 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.884 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -71.33 -26.83 63.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.47 -38.43 59.59 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.39 -42.25 64.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.282 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -62.23 -50.28 72.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.2 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.8 m -62.73 -42.4 99.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.627 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.656 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 39.8 t90 -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 29.3 t80 -60.87 -42.61 98.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.19 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.482 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 5.3 tp-100 -66.76 -35.64 80.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 0.0 110.432 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.514 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 11.8 m-80 -67.85 -50.95 53.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 70' ' ' PHE . 5.0 pp0? -63.21 -30.73 71.82 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 48.0 ttt180 -67.38 -45.06 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.079 176.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 71' ' ' GLN . 69.7 mtm -64.81 -37.22 86.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.567 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 35.4 mmtp -61.32 -45.07 95.98 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 177.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -74.16 -21.95 59.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.563 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -88.46 -46.01 9.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.59 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -81.2 -62.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.642 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -68.67 150.74 47.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.424 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.95 85.18 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 0.0 109.912 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -92.46 -35.93 13.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.287 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t30 63.45 89.44 0.09 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.601 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 . . . . . 0 C--O 1.252 1.225 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.7 179.451 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.112 0.482 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.86 113.34 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.288 172.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 62.5 86.07 0.16 Allowed Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.278 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.48 -168.73 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.852 2.368 . . . . 0.0 112.23 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.4 p 54.89 104.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.933 0.893 . . . . 0.0 112.816 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -80.61 91.15 5.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.28 -176.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.42 83.63 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.542 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 63.17 68.83 0.6 Allowed 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.737 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 10' ' ' SER . 2.8 t-20 64.02 -174.09 0.17 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.91 176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.433 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 3.6 m -74.09 114.4 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.6 m -79.38 108.05 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.192 0.52 . . . . 0.0 111.603 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 67.6 167.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.605 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.936 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER 63.04 23.53 14.03 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.875 176.214 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -74.28 153.69 39.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -62.87 113.6 3.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -125.4 87.21 2.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.938 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -137.39 100.16 4.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.377 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 20' ' ' VAL . 14.7 t -124.08 85.79 54.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.37 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -80.17 97.41 1.05 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.481 2.121 . . . . 0.0 112.543 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG23 HG12 ' A' ' 18' ' ' VAL . 4.1 t -119.12 31.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.821 0.82 . . . . 0.0 109.94 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -114.94 -77.18 0.57 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.134 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 76.7 tttt -140.11 106.49 5.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.324 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 19.5 tt0 179.26 78.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.503 0.502 . . . . 0.0 110.455 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -83.85 98.34 9.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -101.88 152.61 20.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.493 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -66.59 -65.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.393 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.75 143.69 27.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 0.0 111.088 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 m -153.94 171.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.841 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -92.98 148.93 21.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 174.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -75.22 154.54 37.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -61.72 -28.95 69.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.423 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.5 p -72.63 -46.75 52.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.753 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' ' 59' ' ' LEU . 48.7 mt-30 -63.68 -39.64 94.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.834 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.63 -34.34 77.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 49.1 t -64.73 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.56 -37.8 80.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.161 0.505 . . . . 0.0 110.531 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.44 -43.43 81.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.154 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 27.9 t-20 -65.71 -43.53 88.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -55.72 -41.65 74.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HE ' HD13 ' A' ' 55' ' ' LEU . 1.2 mpt_? -55.28 -48.8 73.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.9 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.41 -21.64 59.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.043 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 12.4 mm100 -86.28 -24.93 25.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.682 0.277 . . . . 0.0 111.575 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.599 ' HE ' ' HA ' ' A' ' 43' ' ' ARG . 2.4 mmp_? -85.9 -43.13 13.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.705 0.288 . . . . 0.0 110.456 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -128.27 144.53 51.13 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 20.7 ptmt -63.68 -24.02 67.61 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.308 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -147.79 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 47' ' ' LEU . 2.4 pp -107.65 128.13 54.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.324 0.583 . . . . 0.0 110.422 173.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -82.98 -174.54 5.34 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.259 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.02 -34.44 75.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.62 0.724 . . . . 0.0 109.237 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -29.22 62.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.057 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -75.54 -44.7 42.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.862 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB3' HD13 ' A' ' 47' ' ' LEU . 23.9 ptp -60.15 -38.77 84.16 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -73.29 -37.17 66.32 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.342 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 39.9 tt0 -64.0 -44.76 91.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.144 0.497 . . . . 0.0 109.937 175.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD13 ' HE ' ' A' ' 40' ' ' ARG . 50.1 tp -58.62 -46.13 87.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.874 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.3 m -52.78 -48.81 66.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.034 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -61.66 -33.76 74.53 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.745 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 14.2 mt -72.31 -39.58 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.0 111.442 -176.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' A' ' 33' ' ' GLN . 3.4 mm? -95.23 1.98 54.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.744 -0.383 . . . . 0.0 111.398 -175.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.98 36.99 18.44 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mp -107.95 168.97 8.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.347 -178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.612 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 42.5 t -84.81 137.97 32.86 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.283 -176.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.66 -33.43 66.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.059 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -69.76 -37.83 76.55 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.958 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 84.4 mm-40 -68.85 -46.33 68.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.514 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.28 -40.41 86.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.965 0.412 . . . . 0.0 111.053 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -65.68 -44.4 86.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.203 0.525 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 m -71.44 -34.19 70.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.685 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -56.92 -48.66 77.74 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -59.48 -41.04 88.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.096 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -67.33 -33.17 74.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 16.1 m-80 -74.3 -45.14 49.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.13 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.48 -40.08 93.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 74' ' ' ARG . 30.5 ttt180 -55.08 -49.97 70.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 176.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.28 -36.46 66.32 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.231 -172.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 19.9 ptmt -85.54 -20.84 29.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.907 -175.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.3 m -65.55 -35.99 82.49 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.09 175.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -76.21 -64.8 1.02 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.95 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -145.59 -69.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -167.2 -177.45 3.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.577 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -70.32 108.24 4.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.118 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 1.6 ptmt -79.97 108.89 13.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.327 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -111.16 22.84 14.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.902 0.858 . . . . 0.0 109.383 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.4 t30 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.856 177.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 5.5 m . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.542 0.211 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HG2' ' OE1' ' A' ' 3' ' ' GLN . 34.7 ttpt 174.56 -50.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' OE1' ' HG2' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -126.93 86.1 59.56 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.81 -55.87 2.08 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.473 2.116 . . . . 0.0 112.332 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 6' ' ' SER . 0.2 OUTLIER 55.15 -164.67 0.12 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.083 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' H ' HG22 ' A' ' 5' ' ' THR . 8.2 t -175.29 103.91 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.101 0.409 . . . . 0.0 111.026 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.76 82.39 0.09 Allowed 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.705 0.628 . . . . 0.0 111.649 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.04 101.26 3.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.569 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.56 20.75 12.25 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.734 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.3 p -136.35 39.07 2.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.386 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.11 108.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.277 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.32 148.41 44.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.724 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp 65.26 97.49 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.002 0.814 . . . . 0.0 111.164 -176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 pttp -135.65 160.39 38.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.25 100.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.106 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -138.96 158.5 44.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.55 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 2.6 mppt? 58.77 61.03 2.29 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.382 0.426 . . . . 0.0 110.71 -173.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -116.26 87.13 18.92 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.891 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.15 -171.93 1.02 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.628 2.219 . . . . 0.0 112.487 -177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.7 t 63.18 88.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.458 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -162.71 30.27 0.1 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -73.42 -32.98 64.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.257 0.551 . . . . 0.0 110.166 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -115.67 107.42 15.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.879 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.73 92.85 5.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.101 0.477 . . . . 0.0 110.011 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 t -105.34 -5.22 20.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.358 0.599 . . . . 0.0 109.943 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -138.61 161.91 35.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.262 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.19 162.13 26.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.913 0.387 . . . . 0.0 111.169 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.4 m -142.84 168.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.844 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -92.26 163.42 13.91 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 m -75.24 154.18 37.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -58.13 -38.81 77.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.06 0.457 . . . . 0.0 110.14 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.6 m -60.66 -48.16 83.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.526 ' HG2' HD22 ' A' ' 59' ' ' LEU . 55.1 mt-30 -60.98 -47.88 84.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 -178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -59.27 -43.98 92.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.703 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 14' ' ' LYS . 36.4 t -61.93 -45.4 93.84 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.489 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.637 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 73.5 t -60.71 -44.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.752 -0.203 . . . . 0.0 111.079 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.007 0.432 . . . . 0.0 110.713 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -66.78 -41.49 87.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.634 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 1.1 m-20 -68.18 -31.56 71.19 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.428 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.637 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -62.39 -40.72 97.39 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.771 175.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -75.99 -28.3 57.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -83.12 -50.04 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.6 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.2 mmt180 -77.9 -38.98 44.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.429 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.5 mp0 -102.16 -178.91 3.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 41.0 tptt -90.93 -52.88 4.63 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -154.85 176.57 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.738 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 40' ' ' ARG . 7.3 mp -102.81 129.62 49.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.95 177.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.7 p -83.15 -177.36 6.73 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -67.32 -29.59 69.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.046 0.451 . . . . 0.0 110.093 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -75.83 -45.85 33.65 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.169 174.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 47' ' ' LEU . 28.7 mt-30 -62.33 -34.86 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.537 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.8 ptp -66.66 -43.24 85.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.023 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 20.4 pt20 -73.97 -36.69 64.6 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.24 0.543 . . . . 0.0 110.168 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 58' ' ' ILE . 22.1 tt0 -63.38 -38.04 89.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.14 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD11 HG11 ' A' ' 36' ' ' VAL . 32.5 tp -80.08 -37.47 33.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.383 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.413 ' HB3' HG21 ' A' ' 66' ' ' VAL . 80.2 p -57.55 -33.06 67.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.923 0.392 . . . . 0.0 110.563 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.15 -35.44 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 54' ' ' GLU . 22.9 mt -72.02 -47.31 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.006 -176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 33' ' ' GLN . 97.4 mt -82.49 4.99 22.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.483 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 56.52 64.05 1.79 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.832 0.825 . . . . 0.0 110.072 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.6 mt -137.31 171.28 14.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.458 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.753 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 30.8 t -86.29 146.91 26.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.482 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 29.1 t80 -57.51 -36.83 72.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.82 175.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -71.02 -35.33 71.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.11 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.753 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 15.9 mm100 -65.87 -44.79 84.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.268 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 56' ' ' SER . 72.3 t -72.94 -38.28 55.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.646 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.537 ' HG2' ' SD ' ' A' ' 52' ' ' MET . 3.6 tmtm? -58.37 -45.97 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.279 0.562 . . . . 0.0 109.747 176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.4 m -63.96 -49.24 73.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.09 -44.22 97.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.0 -47.81 83.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.809 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -69.21 -42.41 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.54 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.579 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 19.5 t-20 -63.91 -50.3 69.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.77 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -59.65 -38.61 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -67.45 -48.95 65.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 24.8 ptm -70.34 -37.89 74.76 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.827 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -80.09 -27.3 39.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.074 -175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.2 t -74.24 -24.26 59.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.1 0.476 . . . . 0.0 110.019 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HB3' ' HE3' ' A' ' 78' ' ' LYS . 6.3 mmmt -73.98 -29.65 62.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.714 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -91.9 -51.68 5.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -115.99 101.6 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.071 -176.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.15 87.57 7.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.017 0.436 . . . . 0.0 110.433 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -87.73 -19.95 26.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.01 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -144.94 173.68 11.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.941 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t30 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.101 176.803 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -142.98 25.2 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 0.0 109.446 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 12.8 mm-40 -139.18 88.59 12.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.034 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.694 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.9 Cg_endo -66.84 -3.72 9.96 Favored 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 123.616 2.877 . . . . 0.0 113.486 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 4' ' ' PRO . 40.2 m 73.83 103.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.574 0.546 . . . . 0.0 110.288 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -126.95 124.73 40.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.058 0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.35 -62.23 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.297 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 53.27 31.44 11.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.112 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -126.74 132.36 51.12 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.94 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.3 t 73.7 -50.57 0.69 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.688 0.795 . . . . 0.0 112.815 172.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.23 83.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.192 0.52 . . . . 0.0 111.776 -172.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.99 77.33 1.05 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 170.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -132.79 -23.92 1.99 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.029 -169.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.99 72.83 0.51 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.321 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 64.3 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.903 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.69 117.71 12.52 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -176.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.56 75.04 6.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.208 0.528 . . . . 0.0 109.713 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 18' ' ' VAL . 5.7 p -133.67 86.26 39.81 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-O 121.851 0.834 . . . . 0.0 111.379 -178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -90.52 84.04 0.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.708 2.272 . . . . 0.0 112.036 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 t -134.83 59.71 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HB3' ' H ' ' A' ' 22' ' ' LYS . 88.8 mttt 59.7 -163.93 0.22 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.797 -173.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' H ' ' HB3' ' A' ' 21' ' ' LYS . 3.3 tmtp? 63.6 67.82 0.62 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.675 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.28 138.3 57.54 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 172.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.79 ' H ' ' HD2' ' A' ' 24' ' ' LYS . 2.7 mptp? -68.75 94.06 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 m -87.5 84.66 7.11 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.864 -168.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -172.38 -179.88 2.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 172.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 p -76.55 134.09 39.53 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.308 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 m -155.35 177.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.026 -173.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.434 ' H ' HD21 ' A' ' 34' ' ' LEU . 38.5 m-85 -105.53 176.48 5.15 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 173.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.4 m -62.87 154.6 29.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 m -52.67 -35.21 54.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 111.233 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -61.92 -43.86 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.039 178.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -75.38 -40.74 57.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD21 ' H ' ' A' ' 29' ' ' PHE . 97.5 mt -58.13 -37.84 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.662 175.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.8 t -63.9 -40.28 96.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 32' ' ' THR . 59.9 t -64.52 -41.11 91.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.565 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 55' ' ' LEU . 94.7 mt -60.85 -44.72 96.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.029 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.549 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 23.8 t-20 -64.14 -36.73 85.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.508 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.3 t70 -55.16 -50.33 69.58 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -38.87 79.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.7 -20.79 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.704 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 27.2 mm-40 -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.883 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 26.8 mmt180 -73.56 -37.77 65.43 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.045 0.45 . . . . 0.0 110.836 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -149.44 161.91 41.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.925 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.93 -40.49 95.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 0.0 109.839 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.896 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 61.0 m-85 -143.2 147.62 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.308 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' ' 52' ' ' MET . 1.4 pp -79.93 146.43 32.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.42 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -79.35 178.79 7.83 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.615 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 3.3 tm? -63.94 -38.69 92.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.073 -177.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -71.36 -29.51 65.06 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.749 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.443 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 57.7 mt-30 -76.01 -45.19 35.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.691 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.565 ' HB3' HD13 ' A' ' 47' ' ' LEU . 21.9 ptp -58.36 -45.26 88.55 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 3.8 pt20 -69.82 -35.24 74.63 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.549 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.617 ' O ' HG13 ' A' ' 58' ' ' ILE . 31.7 tt0 -60.15 -54.03 50.76 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.012 176.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD21 HD23 ' A' ' 37' ' ' LEU . 46.7 tp -60.05 -41.39 92.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.314 -176.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 m -55.71 -53.4 57.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.535 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.96 -35.33 78.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.694 HD13 ' HB3' ' A' ' 4' ' ' PRO . 21.1 mt -81.17 -41.86 19.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.022 -175.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 59' ' ' LEU . 15.2 tp -85.57 4.43 36.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.745 0.307 . . . . 0.0 110.563 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.1 t30 62.62 32.96 16.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.697 0.76 . . . . 0.0 110.555 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -113.8 162.97 15.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.778 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 33.2 t -79.95 146.93 31.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.016 178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 40.4 t80 -53.32 -37.35 62.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.584 176.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -66.6 -39.41 88.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 120.831 0.348 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 79.0 mt-30 -65.31 -44.79 86.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.509 178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.97 -41.61 52.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.093 0.473 . . . . 0.0 110.928 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 2.9 tmtp? -66.18 -40.66 90.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -69.71 -38.67 77.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -46.69 87.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.218 0.533 . . . . 0.0 109.717 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.896 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 2.7 t80 -58.8 -51.68 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.205 176.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' OE1' ' HD3' ' A' ' 74' ' ' ARG . 4.3 tp-100 -65.59 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.927 -175.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.7 t-20 -71.0 -51.96 22.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.338 -178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -61.32 -32.59 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.997 0.427 . . . . 0.0 110.614 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.506 ' HD3' ' OE1' ' A' ' 71' ' ' GLN . 60.3 ttt180 -64.59 -47.15 79.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.503 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 20.9 ptp -78.71 -6.75 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 69.6 mmtt -69.93 -57.9 4.49 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.768 0.318 . . . . 0.0 111.471 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.1 m -66.85 -32.73 74.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.466 -170.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -73.98 -12.89 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.802 0.334 . . . . 0.0 111.729 -173.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' MET . 78.9 mtt180 -77.49 -15.23 59.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.601 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -102.49 137.92 40.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.331 -176.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 60.38 34.69 20.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.197 0.522 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -58.77 125.06 21.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.119 -176.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -107.06 109.42 21.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.282 174.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.375 -176.669 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.758 0.313 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.83 ' HA ' ' HE3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -165.92 95.21 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 68.51 87.36 0.11 Allowed Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.918 0.762 . . . . 0.0 109.558 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.72 ' HB2' HD11 ' A' ' 58' ' ' ILE . 47.9 Cg_endo -66.19 -19.88 56.42 Favored 'Trans proline' 0 N--CA 1.472 0.224 0 C-N-CA 123.657 2.905 . . . . 0.0 114.142 -166.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 t -79.59 -172.95 3.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m 67.67 87.33 0.12 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.593 -176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.02 -175.93 2.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.608 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -153.21 178.71 9.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.495 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 59.7 t30 70.43 71.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.819 0.699 . . . . 0.0 110.652 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 m 71.29 -60.0 0.53 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.597 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 12' ' ' ALA . 17.0 t 68.44 161.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.182 0.593 . . . . 0.0 109.999 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' HG12 ' A' ' 11' ' ' VAL . . . 67.82 -161.21 0.22 Allowed 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.793 0.437 . . . . 0.0 110.516 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 69.65 -163.96 0.17 Allowed 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.389 0.431 . . . . 0.0 111.239 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 24.4 mmmt -95.57 164.62 12.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.047 0.451 . . . . 0.0 112.17 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.9 mp0 -58.12 161.16 4.33 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.762 177.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.3 103.71 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.0 mptt 69.63 99.99 0.06 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.985 -178.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -106.09 88.52 3.13 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.882 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 73.2 Cg_endo -88.99 124.3 1.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.825 2.35 . . . . 0.0 113.686 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' HG3' ' A' ' 22' ' ' LYS . 94.9 t 65.08 101.39 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.509 174.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -85.82 114.34 22.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.325 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' HG3' HG12 ' A' ' 20' ' ' VAL . 28.9 mtpp -129.24 101.53 6.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -95.08 84.44 4.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.387 0.613 . . . . 0.0 111.869 -176.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -90.19 158.55 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.382 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -85.95 72.75 10.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.685 0.755 . . . . 0.0 110.167 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -124.13 170.38 10.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.758 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -88.09 136.76 32.82 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.003 173.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.18 -175.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.464 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -86.73 149.57 24.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.162 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.0 m -76.9 154.82 33.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.022 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -61.13 -32.21 71.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.797 -176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.4 m -60.71 -49.55 77.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.751 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.33 -49.54 71.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.279 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.13 -44.67 79.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.746 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 47.0 t -60.32 -48.61 80.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.606 0.241 . . . . 0.0 111.267 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.54 -39.52 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.959 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.15 -41.8 99.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.344 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.2 -48.52 75.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.961 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -56.19 -53.11 61.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.207 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -63.42 -42.96 98.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.512 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 10.7 m-85 -73.92 -20.46 60.37 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -88.33 -23.49 23.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.74 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HG3' ' HG3' ' A' ' 44' ' ' GLN . 12.6 ptm180 -98.8 -27.6 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 111.169 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG3' ' HG3' ' A' ' 43' ' ' ARG . 93.2 mt-30 -134.67 158.32 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -70.25 -52.59 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.484 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -149.92 165.25 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.61 149.11 22.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.607 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 p -87.76 177.35 7.04 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.54 -32.53 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.163 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -74.74 -39.36 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.218 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -75.29 -32.85 61.13 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.001 -175.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 ptp -67.44 -39.19 85.4 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.533 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.502 ' HB3' ' CD1' ' A' ' 63' ' ' TYR . 3.5 pt20 -74.31 -33.49 63.22 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.475 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' ' 4' ' ' PRO . 43.3 tt0 -66.78 -36.94 83.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.503 176.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.02 -45.01 71.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.976 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.48 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 11.9 p -59.94 -30.03 68.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.759 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -67.33 -33.77 75.95 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.764 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.72 HD11 ' HB2' ' A' ' 4' ' ' PRO . 18.3 mt -71.15 -46.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.336 0.588 . . . . 0.0 110.606 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.27 1.6 44.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.758 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 59.44 40.41 20.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.871 0.843 . . . . 0.0 109.764 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.7 mt -119.09 -177.39 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.172 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 t -93.49 146.73 23.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.846 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 53' ' ' GLN . 14.4 t80 -56.74 -38.27 72.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.027 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -71.79 -32.07 67.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.3 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -67.67 -46.32 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 86.7 t -66.64 -42.52 89.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.472 0.653 . . . . 0.0 110.552 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 46.1 tttp -61.77 -43.41 98.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.222 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 96.8 m -65.02 -40.05 94.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.459 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 2.5 t90 -65.83 -39.46 90.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 109.663 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.51 -44.92 89.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.291 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 50.2 mt-30 -67.69 -31.01 70.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.424 -177.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 21.5 m-80 -73.82 -40.62 63.21 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.83 -35.07 77.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.294 0.569 . . . . 0.0 109.879 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -40.86 69.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.301 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.493 ' HG3' ' HA ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -73.19 -22.48 60.46 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.234 -0.587 . . . . 0.0 111.408 -176.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 32.1 mmtp -61.39 -43.35 99.01 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 111.052 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -81.67 -20.17 40.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.924 -174.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -84.77 -41.72 15.88 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.203 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.633 ' HB3' ' HD1' ' A' ' 80' ' ' TRP . 7.6 mmm180 -129.78 -77.19 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.85 0.357 . . . . 0.0 111.319 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.633 ' HD1' ' HB3' ' A' ' 79' ' ' ARG . 1.4 p-90 175.17 -162.97 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -173.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -61.53 92.68 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.839 0.352 . . . . 0.0 111.512 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 72.99 174.16 0.29 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.627 173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.467 ' CG ' ' H ' ' A' ' 84' ' ' ASN . 66.6 t30 -136.49 -166.54 1.91 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -173.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.467 ' H ' ' CG ' ' A' ' 83' ' ' ASN . 50.0 t-20 . . . . . 0 C--O 1.247 0.96 0 C-N-CA 123.477 0.711 . . . . 0.0 110.5 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.693 0.282 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.657 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 73.6 mmtt -75.26 159.72 31.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -101.0 88.61 1.07 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.657 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 19.4 Cg_exo -64.28 91.36 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.559 2.173 . . . . 0.0 112.436 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.687 ' HA ' HG21 ' A' ' 58' ' ' ILE . 24.4 m -89.82 115.27 27.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.331 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -84.89 83.43 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.927 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.98 -173.34 0.17 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.731 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -134.29 92.51 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -126.07 137.54 53.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.54 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -78.76 123.65 27.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.242 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t 70.67 106.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 O-C-N 123.924 0.765 . . . . 0.0 111.512 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.31 98.02 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.244 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -106.88 95.22 5.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.175 -175.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 60.93 -168.17 0.18 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.307 174.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 2.0 mp0 -62.61 -46.67 87.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.49 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 72.02 1.63 3.99 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.226 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 30.0 mmtp 65.17 -173.56 0.18 Allowed 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.594 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.89 HG12 ' HD3' ' A' ' 21' ' ' LYS . 12.8 t -114.99 87.72 15.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.977 -172.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 17' ' ' LYS . 8.4 Cg_exo -72.32 132.67 19.66 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.413 2.742 . . . . 0.0 113.423 -175.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.604 ' O ' ' HD2' ' A' ' 21' ' ' LYS . 49.1 t 59.58 70.34 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.556 172.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.89 ' HD3' HG12 ' A' ' 18' ' ' VAL . 12.6 mptt -130.9 -171.16 2.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.457 172.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -70.82 -78.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -158.92 104.93 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -138.65 166.91 23.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.92 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 p -74.57 -176.33 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -169.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.733 ' HD2' ' H ' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -71.92 -37.22 70.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.363 -174.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.2 p -129.37 137.24 50.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.487 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 m -155.82 171.5 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.667 -1.151 . . . . 0.0 108.901 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -101.22 144.93 29.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 173.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -69.08 154.57 41.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.371 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -60.53 -38.1 83.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.969 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.2 p -68.0 -44.85 75.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.793 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.01 -49.15 78.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.801 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.99 -41.03 86.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 t -61.29 -51.96 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.592 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 92.2 t -58.76 -46.72 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.0 0.429 . . . . 0.0 110.495 -178.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.814 ' HA ' ' HE ' ' A' ' 40' ' ' ARG . 98.9 mt -56.55 -53.66 54.96 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -68.46 -32.82 73.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 -173.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.41 -57.6 12.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.514 0.197 . . . . 0.0 111.452 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.971 HH22 ' HG ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -76.33 -23.89 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.078 -177.806 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.447 ' HE2' ' HZ3' ' A' ' 69' ' ' TRP . 3.9 m-85 -68.85 -20.55 64.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.374 172.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.31 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.987 0.422 . . . . 0.0 110.319 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 21.6 mmt180 -74.04 -23.51 59.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.884 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -127.39 -178.06 4.31 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -83.0 -52.83 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 110.97 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -152.38 -174.74 5.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 70' ' ' PHE . 96.5 mt -74.54 123.92 25.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.232 175.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.2 t -75.11 172.06 13.03 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -65.15 -41.36 94.8 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.585 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -71.46 -39.97 70.61 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.274 178.251 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -59.29 -45.14 92.07 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.81 -43.06 84.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.47 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.56 -35.68 65.5 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.852 0.358 . . . . 0.0 110.36 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 58' ' ' ILE . 2.1 tp10 -64.5 -54.09 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.856 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.971 ' HG ' HH22 ' A' ' 40' ' ' ARG . 2.6 tm? -59.32 -42.74 92.11 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.975 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.1 t -53.19 -52.91 57.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.468 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.15 -34.91 79.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.772 0.32 . . . . 0.0 111.09 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 5' ' ' THR . 13.6 mt -80.2 -36.94 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 tp -87.05 0.27 55.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.479 -177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 65.86 32.11 8.93 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.122 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -108.94 -177.18 3.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.183 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.1 t -99.14 144.27 28.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -61.73 -30.66 70.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.923 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -64.73 -44.46 90.09 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.284 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -65.5 -46.39 79.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.866 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -42.54 90.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.04 0.448 . . . . 0.0 110.897 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.39 -44.41 68.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.501 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.7 m -65.53 -37.73 87.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.24 -177.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HZ3' ' HE2' ' A' ' 41' ' ' PHE . 76.1 t90 -63.68 -41.34 98.18 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 47' ' ' LEU . 48.9 t80 -58.87 -43.32 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.814 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -64.87 -42.32 94.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.687 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 35.9 t-20 -65.58 -44.95 85.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.085 -176.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -56.86 -43.18 80.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.501 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -71.59 -39.09 70.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.687 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 19.5 ptp -72.98 -13.67 61.28 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.5 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 73.2 mmtt -49.93 -47.41 52.43 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -61.75 -31.52 71.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -174.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -97.42 -28.86 13.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.523 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -102.9 -8.4 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.745 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 60.7 t90 -141.57 120.04 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -131.81 4.8 4.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.572 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 58.6 78.66 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.231 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -102.76 74.04 1.32 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.391 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.245 0.837 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.379 -177.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER 62.74 -162.96 0.27 Allowed 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.059 0.224 . . . . 0.0 110.812 -175.007 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 6' ' ' SER . 3.7 pt20 43.84 70.46 1.87 Allowed Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 124.19 0.996 . . . . 0.0 113.178 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.7 -28.1 3.61 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.205 1.936 . . . . 0.0 111.578 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 p -114.47 -21.94 10.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.122 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 33.6 t -83.31 96.34 8.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.825 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -175.88 3.29 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 58.59 83.94 0.11 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.656 0.741 . . . . 0.0 109.798 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.616 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 6.1 p-10 -108.54 128.59 54.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.466 -175.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 12' ' ' ALA . 8.1 t -148.74 169.44 20.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.7 t 73.64 -16.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.586 0.708 . . . . 0.0 111.062 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 10' ' ' SER . . . -105.37 35.27 2.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.542 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 37.2 ttpt -56.04 -39.64 72.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.816 -178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 13' ' ' LYS . 36.0 mtmt -157.03 -177.71 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.674 175.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -71.01 111.02 6.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 17' ' ' LYS . 5.3 t70 61.11 -154.7 0.36 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.925 171.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' H ' ' CG ' ' A' ' 16' ' ' ASP . 7.3 tmtm? -84.85 23.49 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.498 0.666 . . . . 0.0 109.817 -178.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t 49.58 84.71 0.2 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.729 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.65 111.58 3.33 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.443 2.096 . . . . 0.0 111.871 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 t -109.46 74.4 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.338 0.59 . . . . 0.0 110.556 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -111.91 -85.64 0.56 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.592 174.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.95 97.17 3.81 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -119.23 96.54 5.27 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.528 0.68 . . . . 0.0 111.323 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -124.8 71.31 1.16 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.036 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 p -79.92 126.31 30.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.812 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 26' ' ' ARG . 22.3 ttt180 -60.01 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.503 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -139.54 139.24 36.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 0.0 111.269 176.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 m -151.36 -168.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.924 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' HD2' ' NE2' ' A' ' 33' ' ' GLN . 96.9 m-85 -86.75 156.39 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.9 m -69.84 160.59 31.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.482 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.8 m -53.92 -47.32 71.31 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 123.27 0.356 . . . . 0.0 110.943 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -59.77 -42.24 92.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.374 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.523 ' HG2' HD22 ' A' ' 59' ' ' LEU . 19.5 mt-30 -65.32 -50.46 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.622 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.61 -43.94 93.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.349 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.2 t -60.22 -52.01 67.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.174 -177.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.79 -42.84 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.11 -47.2 83.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.648 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -70.68 -40.38 72.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.655 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.5 t70 -60.55 -48.1 83.25 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.475 177.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -66.74 -34.67 78.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.774 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -69.74 -22.0 63.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.958 175.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.58 -28.6 28.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.112 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 18.5 mmt180 -79.43 -53.79 6.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.149 0.5 . . . . 0.0 110.192 177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -112.83 158.85 19.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.637 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.483 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.66 -48.23 80.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.282 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -149.57 176.09 10.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.667 0.27 . . . . 0.0 110.419 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.8 mt -92.98 137.39 32.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.291 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.2 m -79.38 174.46 11.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.797 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -63.98 -41.84 97.41 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.45 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -75.07 -26.95 59.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.122 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -76.23 -37.19 58.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.113 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.12 -39.76 90.16 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -73.49 -31.88 63.98 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.115 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.63 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.1 tp10 -62.06 -53.84 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.287 175.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -35.14 74.44 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -53.68 -48.03 69.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.137 173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.39 -34.85 75.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.03 0.443 . . . . 0.0 110.531 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 54' ' ' GLU . 27.7 mt -72.99 -43.65 58.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.153 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.523 HD22 ' HG2' ' A' ' 33' ' ' GLN . 79.0 mt -90.11 6.62 41.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.569 -174.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.3 t30 63.96 29.48 14.41 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.796 0.807 . . . . 0.0 110.684 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -109.66 -178.64 3.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.791 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.7 t -104.66 150.84 24.36 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.398 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -56.97 -35.31 69.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -61.4 -40.46 94.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.322 0.582 . . . . 0.0 109.74 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.19 -45.51 63.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.471 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -71.16 -40.67 75.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.346 -174.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -70.4 -42.96 70.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.658 0.266 . . . . 0.0 110.598 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.3 m -64.88 -38.93 92.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.857 0.361 . . . . 0.0 110.777 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -62.2 -49.31 76.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.999 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -58.68 -40.56 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.153 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.33 -45.49 94.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.871 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.81 -42.5 66.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.025 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -56.51 -49.71 73.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.098 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.51 -38.72 87.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 61.6 mtm -63.51 -47.05 83.26 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.463 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 80' ' ' TRP . 39.9 mtmt -75.13 -28.81 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.455 -176.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -77.6 -28.54 51.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.324 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -91.07 -57.36 2.83 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.889 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -82.28 -76.03 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.708 0.29 . . . . 0.0 111.408 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 16.3 p90 -172.19 171.4 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.082 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -71.33 93.06 1.09 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.194 0.521 . . . . 0.0 111.511 -176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -83.1 78.7 9.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.508 173.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -94.23 175.61 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.87 -176.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.766 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.7 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 62.49 -168.82 0.19 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.92 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 29.3 pt20 -90.98 141.64 26.73 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.052 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 3' ' ' GLN . 24.4 Cg_endo -97.99 80.54 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 123.795 2.997 . . . . 0.0 111.981 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -111.99 123.55 50.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.143 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -71.36 127.22 31.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.799 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.61 -17.37 16.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -79.26 95.16 5.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.255 0.55 . . . . 0.0 111.885 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -89.84 12.24 17.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.604 173.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.27 -11.09 55.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.66 -178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.2 98.83 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.918 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.49 93.58 9.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 46.15 -168.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.486 1.116 . . . . 0.0 111.978 -171.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.807 ' HG2' ' H ' ' A' ' 15' ' ' GLU . 53.6 tttm 62.94 -155.2 0.34 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.807 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -127.17 -58.52 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.996 0.427 . . . . 0.0 110.745 178.281 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -110.92 151.93 27.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.274 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -87.66 24.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.297 0.57 . . . . 0.0 111.516 -172.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -125.37 86.67 56.77 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.754 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.686 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 40.2 Cg_endo -95.8 84.71 0.1 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.303 2.669 . . . . 0.0 111.892 175.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 44.1 t -123.96 77.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.013 0.435 . . . . 0.0 111.334 -176.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 23.9 ttmm 175.71 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.168 -0.923 . . . . 0.0 108.948 172.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -154.88 -86.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -151.51 -171.52 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.299 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -100.9 137.32 39.44 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.1 t -93.28 13.72 20.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.99 0.424 . . . . 0.0 111.675 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -132.36 163.4 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -70.01 142.06 52.83 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.32 0.388 . . . . 0.0 110.543 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.18 -174.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.183 0.516 . . . . 0.0 111.505 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -86.17 173.46 9.8 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.076 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.6 t -72.62 152.42 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -59.85 -38.87 83.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.634 0.254 . . . . 0.0 110.387 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.9 m -58.16 -44.86 88.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' HD22 ' A' ' 59' ' ' LEU . 24.5 mt-30 -68.24 -45.91 71.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 110.156 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 94.4 mt -56.93 -46.06 82.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.754 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.28 -47.02 87.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' THR . 98.3 t -64.26 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.91 -46.39 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.74 -36.89 78.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.521 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.673 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.4 t70 -65.03 -44.68 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.182 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HG2' HD21 ' A' ' 55' ' ' LEU . 2.4 tpt180 -58.62 -47.61 83.81 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.733 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 28.9 m-85 -67.59 -22.87 65.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.115 0.483 . . . . 0.0 111.39 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.43 -23.71 58.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.985 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 19.4 mmt180 -90.97 -43.46 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 178.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 64.3 tt0 -136.04 136.51 40.29 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -62.72 -26.95 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -171.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -135.23 164.01 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.046 0.45 . . . . 0.0 111.2 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -100.78 137.93 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.71 174.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.2 p -83.76 -176.29 6.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.02 0.438 . . . . 0.0 110.231 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.57 -39.8 94.4 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.535 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -76.7 -29.2 56.16 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' A' ' 54' ' ' GLU . 25.9 mt-30 -76.94 -30.06 55.89 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -71.59 -36.78 70.96 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.858 -0.526 . . . . 0.0 110.635 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.64 -31.62 63.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.0 109.809 173.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 58' ' ' ILE . 26.7 tt0 -58.95 -55.07 39.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.618 174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 40' ' ' ARG . 1.7 mm? -64.32 -37.44 87.49 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.563 ' HB3' HG21 ' A' ' 66' ' ' VAL . 2.3 p -61.29 -45.77 93.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.019 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.59 -32.21 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.68 0.276 . . . . 0.0 111.503 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 54' ' ' GLU . 24.3 mt -70.56 -53.29 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.977 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 33' ' ' GLN . 47.5 mt -83.5 8.47 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.461 -171.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 t30 63.71 36.68 10.53 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.793 0.806 . . . . 0.0 110.25 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.8 -177.6 3.22 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.381 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.5 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 40.4 t -107.11 148.66 28.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -54.8 -42.25 71.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.034 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.41 -40.3 96.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.5 ' NE2' ' HB3' ' A' ' 62' ' ' SER . 2.5 mp0 -73.58 -34.19 64.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.336 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.563 HG21 ' HB3' ' A' ' 56' ' ' SER . 74.0 t -76.75 -38.62 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.043 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -63.34 -42.36 98.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.191 0.52 . . . . 0.0 110.069 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 50.3 m -70.04 -38.43 75.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.389 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -61.46 -45.47 94.14 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.475 177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 85.9 t80 -57.55 -46.53 83.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.665 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -68.71 -36.29 78.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.799 0.333 . . . . 0.0 111.157 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.75 -47.43 78.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.28 0.562 . . . . 0.0 109.914 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -63.08 -42.65 99.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.108 0.48 . . . . 0.0 109.974 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -66.85 -44.39 81.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.128 -177.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 22.2 ptp -67.27 -32.85 74.14 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.208 -176.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 35.5 mtmm -70.62 -20.21 62.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -177.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.58 -49.66 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -23.25 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.258 -177.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -134.77 37.31 3.07 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -169.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.456 ' CE3' ' HB3' ' A' ' 76' ' ' LYS . 27.0 t-105 -47.2 122.73 4.76 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.868 0.366 . . . . 0.0 110.963 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -152.43 135.45 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.851 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.532 ' HE2' ' OD1' ' A' ' 84' ' ' ASN . 47.1 mtpt 65.14 -173.05 0.18 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.698 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -160.32 -68.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.71 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.532 ' OD1' ' HE2' ' A' ' 82' ' ' LYS . 15.9 m120 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.856 176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 50' ' ' GLN . 32.2 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.08 -45.54 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 59.07 80.0 0.29 Allowed Pre-proline 0 CA--C 1.536 0.415 0 O-C-N 123.797 0.686 . . . . 0.0 111.232 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.38 -55.46 2.8 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.054 2.503 . . . . 0.0 113.019 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 5' ' ' THR . 9.7 m 66.85 8.62 6.16 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.433 0.635 . . . . 0.0 111.573 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -71.98 -24.21 61.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.695 -176.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' VAL . . . -89.54 76.85 7.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.015 0.436 . . . . 0.0 110.457 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -85.2 -49.42 8.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.31 23.58 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.4 m 70.34 -4.78 1.5 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.955 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 7' ' ' ALA . 19.6 m 44.96 -165.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.791 1.236 . . . . 0.0 113.664 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' HB1' ' HE2' ' A' ' 14' ' ' LYS . . . -106.89 133.19 51.92 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.001 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -95.07 26.71 3.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.701 0.762 . . . . 0.0 111.199 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE2' ' HB1' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -128.55 35.19 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 168.181 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -58.92 -64.13 1.05 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.678 -1.601 . . . . 0.0 113.423 -171.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.472 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 24.8 t70 -110.68 -12.43 14.32 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HA ' ' OG ' ' A' ' 31' ' ' SER . 0.4 OUTLIER 45.11 101.87 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.004 -1.453 . . . . 0.0 114.085 177.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.5 t -118.5 78.72 15.03 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.104 170.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -98.94 153.03 0.65 Allowed 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.257 2.638 . . . . 0.0 113.918 -174.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 37.9 t 43.79 84.2 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 115.01 -0.995 . . . . 0.0 113.11 170.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -107.51 -56.65 2.19 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 64.52 -11.08 0.14 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.42 -36.64 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -80.39 93.77 6.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 6.2 t -70.34 78.13 0.54 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 122.063 0.935 . . . . 0.0 111.728 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' THR . 15.9 mmt180 -163.85 -164.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.228 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -63.31 147.22 51.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.782 0.325 . . . . 0.0 110.58 175.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.93 165.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.275 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -115.67 172.0 7.4 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.067 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -81.65 167.58 19.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.641 ' OG ' ' HA ' ' A' ' 17' ' ' LYS . 46.7 t -55.46 -56.04 24.83 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.058 0.224 . . . . 0.0 111.321 -177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 36' ' ' VAL . 23.3 m -55.97 -40.01 72.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.285 -178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.619 ' HG2' HD22 ' A' ' 59' ' ' LEU . 57.4 mt-30 -59.5 -48.97 79.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.725 0.298 . . . . 0.0 110.605 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.55 -40.46 92.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.015 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 16' ' ' ASP . 78.6 m -60.74 -43.13 98.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.96 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.604 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 88.4 t -66.14 -41.06 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.833 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 96.0 mt -57.04 -46.42 82.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.274 0.559 . . . . 0.0 110.076 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.597 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 46.2 t30 -64.29 -43.48 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.114 178.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.567 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 7.2 t70 -55.24 -47.23 75.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.604 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -53.18 -48.43 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 178.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' GLN . 26.0 m-85 -73.85 -22.13 59.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 26.9 mm-40 -73.06 -46.88 49.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.997 176.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.1 mmt180 -72.08 -37.31 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 0.0 110.299 -177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -140.9 135.73 31.58 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 176.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HE2' ' CE2' ' A' ' 46' ' ' TYR . 20.9 ptmt -64.55 -22.59 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -170.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.56 ' CE2' ' HE2' ' A' ' 45' ' ' LYS . 44.9 m-85 -137.91 168.24 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.644 0.259 . . . . 0.0 110.349 176.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 70' ' ' PHE . 92.6 mt -90.05 127.79 36.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 -177.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -86.24 177.71 7.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.908 174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.94 -35.9 81.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.586 0.708 . . . . 0.0 109.437 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.479 ' HB3' ' HA ' ' A' ' 1' ' ' SER . 22.4 mp0 -73.73 -40.37 63.61 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.734 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -66.57 -42.06 87.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.422 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.0 ptp -67.6 -39.33 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.376 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -71.92 -34.28 68.96 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.807 0.337 . . . . 0.0 110.344 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.681 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.5 -50.15 70.76 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -55.33 -50.94 68.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.676 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.512 ' HB3' HG21 ' A' ' 66' ' ' VAL . 16.3 p -59.78 -37.62 79.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.858 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -73.39 -32.73 64.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 0.0 110.983 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.681 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.7 mt -72.52 -44.33 61.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.952 0.406 . . . . 0.0 110.827 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.619 HD22 ' HG2' ' A' ' 33' ' ' GLN . 38.2 mt -92.15 0.47 57.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.333 -174.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.7 t30 57.66 44.54 20.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 122.002 0.906 . . . . 0.0 110.008 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.3 tp -109.15 168.08 9.64 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.452 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.473 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 26.4 t -76.14 137.11 39.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -57.32 -34.99 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.559 0.695 . . . . 0.0 109.627 174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -70.59 -38.17 73.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.005 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 28.9 mm-40 -68.16 -42.2 80.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 56' ' ' SER . 98.2 t -64.0 -45.94 95.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.409 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 71' ' ' GLN . 7.7 tmtt? -61.61 -41.44 97.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.194 178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.43 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 91.9 m -72.37 -34.67 68.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.606 -177.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -59.59 -56.0 27.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.416 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.428 ' HB3' HD12 ' A' ' 47' ' ' LEU . 3.4 p90 -70.82 -32.44 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.665 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 75' ' ' MET . 85.4 mt-30 -65.27 -50.13 66.92 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.192 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -65.9 -32.48 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -62.11 -53.36 56.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.4 . . . . 0.0 110.126 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -72.53 -15.77 61.77 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.402 178.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' A' ' 71' ' ' GLN . 72.1 mmm -63.01 -49.87 72.93 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -68.26 -36.47 79.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -68.97 -25.68 64.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.283 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' C ' ' HD3' ' A' ' 78' ' ' LYS . 4.0 tmtm? -95.32 -41.54 8.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 110.748 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.524 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -67.11 -39.77 86.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.226 -176.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -87.55 96.36 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -117.58 88.75 2.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.119 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt 67.45 139.51 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.775 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.47 156.15 39.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.057 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.829 -176.567 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 121.149 0.5 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -150.77 -71.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.397 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -170.31 84.62 0.56 Allowed Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.616 ' HG2' HD11 ' A' ' 58' ' ' ILE . 36.4 Cg_endo -66.67 151.59 82.36 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.361 2.041 . . . . 0.0 111.837 -178.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m 74.24 85.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.315 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -106.94 -37.09 6.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.816 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.06 -84.06 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 53.8 32.08 14.26 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.709 0.631 . . . . 0.0 111.804 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -81.42 49.97 1.38 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.91 0.386 . . . . 0.0 111.41 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -87.61 78.01 8.61 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t 71.13 127.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.015 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.85 91.62 4.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -91.31 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -133.36 173.64 11.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.216 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 1.5 mp0 -52.94 -62.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.714 0.634 . . . . 0.0 111.371 -176.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' OD1' ' HD2' ' A' ' 17' ' ' LYS . 38.6 t0 -150.94 169.64 21.25 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.7 ' HD2' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.59 179.71 4.16 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.541 -179.042 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t 65.23 85.73 0.15 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 121.374 0.607 . . . . 0.0 109.773 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.75 137.24 78.92 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.117 2.545 . . . . 0.0 112.63 -175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t 55.34 70.45 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.772 0.796 . . . . 0.0 111.042 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -128.42 28.61 5.43 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.995 0.902 . . . . 0.0 108.894 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -141.45 130.66 23.48 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.003 -174.245 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -55.71 123.82 15.39 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.128 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 16.3 mtpt -73.7 149.41 41.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -168.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 83' ' ' ASN . 24.8 m -102.94 145.8 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 162.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -64.55 -12.59 46.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.6 p -125.87 134.71 51.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 172.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -149.82 161.17 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -109.28 174.25 5.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.844 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 t -83.75 154.73 23.43 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.4 m -57.02 -31.75 65.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.295 0.372 . . . . 0.0 111.562 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.5 m -59.95 -43.52 94.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.033 0.444 . . . . 0.0 110.648 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.549 ' HG2' HD22 ' A' ' 59' ' ' LEU . 27.5 mt-30 -73.68 -40.57 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.64 -46.56 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.113 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.58 -40.31 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.84 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 65.6 t -60.18 -49.0 85.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.581 0.229 . . . . 0.0 110.542 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.27 -47.12 87.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.793 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.503 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 51.5 t30 -65.52 -38.92 91.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 -176.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 11.1 t70 -61.55 -45.37 94.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.105 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 15.1 mmt180 -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -59.76 -27.56 66.62 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.021 0.438 . . . . 0.0 111.381 172.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 15.1 mm100 -82.54 -31.95 28.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.184 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 27.7 mmt180 -74.86 -49.96 18.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.401 0.619 . . . . 0.0 109.489 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' OE1' ' HB2' ' A' ' 43' ' ' ARG . 21.5 mp0 -124.61 134.76 52.82 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 175.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.96 -42.95 99.97 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -138.96 149.85 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.06 142.18 27.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.696 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.9 t -83.51 179.58 7.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.982 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.65 -34.86 79.2 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.645 -174.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -75.97 -32.13 59.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.167 0.508 . . . . 0.0 110.154 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -75.25 -32.54 61.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.862 -174.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptp -67.09 -40.55 86.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.006 177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' SER . 3.6 pt20 -74.17 -32.02 62.93 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.054 175.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 58' ' ' ILE . 34.7 tt0 -58.95 -48.77 80.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.043 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -37.14 81.07 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 37.0 t -51.95 -41.87 62.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.341 176.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -68.98 -33.22 73.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.18 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.616 HD11 ' HG2' ' A' ' 4' ' ' PRO . 25.3 mt -69.32 -38.78 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.316 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.549 HD22 ' HG2' ' A' ' 33' ' ' GLN . 69.9 mt -97.3 5.64 49.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.196 -177.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 54.23 45.86 26.45 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.921 0.867 . . . . 0.0 110.129 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.2 mt -112.55 -176.88 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.763 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.552 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 24.2 t -94.79 140.7 29.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.545 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.17 -35.76 72.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -64.82 -36.27 83.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.6 mm-40 -70.95 -46.34 62.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.489 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.55 -40.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.083 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 71' ' ' GLN . 14.2 tmtt? -64.41 -44.68 90.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.162 0.506 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 m -74.89 -37.93 61.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.097 -178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -56.86 -45.5 82.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.536 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 29.1 mm-40 -63.63 -46.4 85.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.134 0.493 . . . . 0.0 110.879 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.789 ' HA ' ' HG2' ' A' ' 75' ' ' MET . 28.2 t-20 -71.93 -30.69 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.238 -175.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HZ2' ' A' ' 76' ' ' LYS . 42.8 tp60 -68.81 -38.98 80.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 25.5 tpt180 -72.92 -39.24 66.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.211 177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.789 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 18.2 ptp -68.19 -28.2 67.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.701 -175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HD3' ' OE1' ' A' ' 81' ' ' GLN . 9.0 ptpp? -77.62 -19.23 55.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.687 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.7 m -67.29 -8.39 31.74 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.475 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.29 -65.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.81 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -144.52 -46.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.735 0.642 . . . . 0.0 112.735 -173.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.469 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 41.7 p-90 -108.75 174.42 5.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.576 0.703 . . . . 0.0 112.703 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.507 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 19.8 mm-40 -127.42 129.8 48.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.72 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.469 ' HB2' ' HZ3' ' A' ' 80' ' ' TRP . 58.5 tttm -91.67 88.34 6.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.998 0.428 . . . . 0.0 110.002 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.532 ' HA ' HG23 ' A' ' 25' ' ' THR . 58.3 t30 -89.24 -11.25 44.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.611 0.72 . . . . 0.0 109.288 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.444 178.088 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 12.6 mmmm 67.61 -156.83 0.21 Allowed 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.65 0.594 . . . . 0.0 111.221 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 53.7 mt-30 -109.57 89.43 7.46 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.676 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 2' ' ' LYS . 33.6 Cg_exo -59.44 89.67 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.166 2.577 . . . . 0.0 113.505 -173.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -79.24 -21.33 46.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.492 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -88.66 100.15 12.89 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -153.13 -43.7 0.1 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.993 0.901 . . . . 0.0 108.809 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -84.41 85.57 7.38 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.565 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.09 94.67 5.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.898 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.6 p -88.64 30.02 0.95 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.302 -175.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 m -119.82 144.07 29.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.427 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.25 -170.36 0.19 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.477 174.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -117.42 -41.84 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HG2' HD13 ' A' ' 34' ' ' LEU . 8.9 mtpm? -127.11 -178.97 4.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.999 170.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.8 ' HG2' ' HB2' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -67.9 -23.05 65.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 171.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 154.55 20.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.795 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -88.84 39.43 0.93 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.531 0.682 . . . . 0.0 110.052 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 t -120.91 86.01 40.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.73 88.56 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.002 2.468 . . . . 0.0 111.813 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.4 t -135.17 85.35 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.721 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -149.66 147.01 27.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.638 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -150.07 41.9 0.84 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.861 0.839 . . . . 0.0 108.775 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.8 156.38 17.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.118 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -116.89 -53.35 2.49 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.154 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 p 49.32 -163.08 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.747 0.654 . . . . 0.0 111.589 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -108.93 -27.25 9.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.966 0.413 . . . . 0.0 110.053 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -133.41 137.7 45.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.614 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.35 155.24 27.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.992 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -86.05 129.54 34.81 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.042 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -83.08 155.67 23.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.87 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -53.9 -42.01 68.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.389 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.5 p -62.19 -45.61 92.62 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.98 179.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 35.0 tt0 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.949 -175.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 14' ' ' LYS . 94.8 mt -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.755 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.4 m -64.05 -40.2 95.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.923 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 32' ' ' THR . 92.8 t -66.89 -38.69 81.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 111.022 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 97.9 mt -63.92 -43.46 95.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 110.308 177.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.8 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 24.1 t-20 -67.52 -36.61 81.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 176.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -53.44 -43.88 68.4 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.627 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 55' ' ' LEU . 6.8 mpt_? -76.25 -52.03 10.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.564 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.85 -20.76 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -172.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.59 -42.13 29.94 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.528 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -100.94 -8.66 22.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.815 0.34 . . . . 0.0 111.553 -174.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.797 ' HG2' HE22 ' A' ' 51' ' ' GLN . 7.0 tp60 -134.48 136.57 43.26 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.26 -38.66 91.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.761 0.315 . . . . 0.0 111.231 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -151.15 165.18 34.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.498 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.64 121.93 25.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.38 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -75.98 173.95 10.59 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.625 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 92.4 mt -66.22 -39.45 89.59 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.23 0.538 . . . . 0.0 109.954 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -67.5 -34.5 77.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.02 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.797 HE22 ' HG2' ' A' ' 44' ' ' GLN . 43.4 mt-30 -75.16 -44.45 46.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.077 -175.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.441 ' SD ' ' HG2' ' A' ' 67' ' ' LYS . 19.6 ptp -61.29 -36.72 80.85 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.615 -177.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 pt20 -74.23 -34.95 63.83 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.222 0.534 . . . . 0.0 110.277 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 58' ' ' ILE . 35.9 tt0 -63.07 -50.98 68.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.461 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 40' ' ' ARG . 3.5 mm? -58.58 -42.07 87.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.673 -177.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 66' ' ' VAL . 10.7 p -62.83 -38.77 92.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.122 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.57 -37.96 83.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.978 0.418 . . . . 0.0 110.762 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 54' ' ' GLU . 20.6 mt -75.31 -46.14 39.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.73 5.77 12.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.734 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER 60.04 34.27 21.36 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.189 0.518 . . . . 0.0 110.507 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.99 177.0 4.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.879 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.72 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 25.3 t -93.6 145.48 24.5 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.494 178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' LYS . 75.8 t80 -57.2 -36.13 70.46 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.095 176.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -65.19 -38.87 91.86 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.68 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.72 ' HG2' ' HB3' ' A' ' 62' ' ' SER . 31.4 mm-40 -68.12 -44.98 74.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.074 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 78.6 t -69.49 -42.81 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.911 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 8.1 tmtt? -61.94 -42.59 99.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.432 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.7 m -71.5 -40.79 69.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.4 t90 -60.55 -41.94 95.53 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -58.17 -48.09 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.69 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.54 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.174 0.512 . . . . 0.0 111.142 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -67.41 -45.07 77.22 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.827 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -64.52 -37.5 87.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.319 0.581 . . . . 0.0 109.821 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -70.9 -47.97 56.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.474 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -26.98 67.39 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.632 -173.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -63.15 -21.45 66.21 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 84.7 p -66.94 -36.55 82.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.998 0.428 . . . . 0.0 110.756 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -95.5 -34.06 12.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.826 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -44.39 55.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -177.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -94.64 128.04 41.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.011 0.434 . . . . 0.0 110.494 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -88.06 6.53 35.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -93.19 84.25 4.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.333 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.95 -32.34 10.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.051 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 . . . . . 0 C--O 1.252 1.205 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.345 177.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.515 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 54.8 tttm 68.35 14.25 9.14 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 111.015 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.27 156.34 0.12 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.697 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.648 ' HD3' ' HG2' ' A' ' 51' ' ' GLN . 58.4 Cg_endo -71.03 -4.87 15.74 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.456 2.104 . . . . 0.0 113.124 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 t -86.03 123.66 31.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.105 0.478 . . . . 0.0 110.625 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m 57.18 31.96 20.91 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.439 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.8 11.49 9.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.369 0.604 . . . . 0.0 109.712 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 9.4 pt-20 -68.39 124.58 23.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.706 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -145.62 5.54 1.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.647 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.7 m -155.48 115.87 3.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.821 0.343 . . . . 0.0 111.638 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 m -79.91 88.29 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.535 0.683 . . . . 0.0 109.85 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.81 -15.4 60.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.255 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttm 54.1 72.49 0.45 Allowed 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.874 0.734 . . . . 0.0 110.553 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 45.7 mmtm -130.05 141.86 50.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.258 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 35.0 mm-40 68.85 18.8 8.5 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.626 0.579 . . . . 0.0 110.951 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -76.44 -4.0 40.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.85 -178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm 69.49 94.56 0.07 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.741 169.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.87 72.86 75.77 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -97.74 102.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 123.304 2.669 . . . . 0.0 112.864 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.3 t -127.64 74.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.038 0.447 . . . . 0.0 110.269 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -152.42 -87.53 0.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.506 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 22' ' ' LYS . 69.9 mmtt -162.6 145.05 10.85 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.3 pm0 -78.89 37.47 0.3 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.12 0.486 . . . . 0.0 111.251 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -78.98 107.87 12.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.177 0.513 . . . . 0.0 110.74 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -162.27 166.59 25.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.593 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -115.24 -55.5 2.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.736 0.303 . . . . 0.0 110.302 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.79 161.9 21.85 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.9 m -144.95 165.53 12.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.5 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -110.48 158.38 18.57 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 t -87.49 155.66 19.9 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 p -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.412 0.445 . . . . 0.0 110.749 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.8 p -59.08 -48.07 82.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.098 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -57.53 -48.41 79.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.549 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.62 -29.94 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.623 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.81 -46.51 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.264 -0.174 . . . . 0.0 111.05 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' THR . 57.4 t -64.74 -41.01 91.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.004 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.63 -43.47 96.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.014 0.435 . . . . 0.0 110.225 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.43 -44.23 97.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.502 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.39 -45.26 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.227 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HB3' HD21 ' A' ' 47' ' ' LEU . 9.0 mpt_? -77.16 -51.45 10.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.532 -175.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 28.3 m-85 -72.95 -20.57 61.03 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -170.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.596 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 13.8 mt-30 -94.03 -8.45 39.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.67 -0.812 . . . . 0.0 111.985 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 50.6 mtm180 -109.86 -25.12 10.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.04 0.448 . . . . 0.0 111.188 177.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.831 ' HA ' HE21 ' A' ' 44' ' ' GLN . 0.0 OUTLIER -112.55 169.97 8.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -80.97 -46.61 14.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 0.0 109.85 175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.676 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 49.9 m-85 -153.84 179.74 8.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 51' ' ' GLN . 63.1 mt -104.19 135.89 44.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.151 0.501 . . . . 0.0 110.813 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -86.68 -177.42 6.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.798 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.03 -36.29 79.14 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.782 -176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -73.88 -36.29 64.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.323 0.583 . . . . 0.0 110.331 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.648 ' HG2' ' HD3' ' A' ' 4' ' ' PRO . 91.9 mt-30 -76.38 -31.23 57.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.913 -175.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.56 -35.28 65.46 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 122.313 -0.242 . . . . 0.0 111.139 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.445 HE21 ' HB3' ' A' ' 53' ' ' GLN . 2.5 pt20 -73.98 -31.81 63.15 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 110.349 175.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' O ' HG13 ' A' ' 58' ' ' ILE . 23.4 tt0 -62.52 -49.21 76.24 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 171.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HB3' HG11 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -51.94 -51.44 57.05 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.966 -178.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -60.34 -37.75 81.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -66.48 -36.87 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.433 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 54' ' ' GLU . 23.2 mt -72.84 -43.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.077 0.465 . . . . 0.0 111.437 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.8 mt -94.63 7.99 43.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.897 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 t30 56.66 52.75 9.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.896 0.855 . . . . 0.0 109.881 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.0 175.36 7.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.639 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.487 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 46.8 t -93.9 146.42 23.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.228 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -56.15 -40.03 73.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.586 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -36.85 84.01 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.329 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 98.6 mt-30 -65.2 -43.45 91.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.181 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 55' ' ' LEU . 87.9 t -71.03 -41.94 76.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.691 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -63.37 -37.83 88.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.429 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 99.0 m -66.5 -43.09 86.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -63.95 -44.06 93.93 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.676 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 44.7 t80 -56.1 -49.64 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.033 176.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.6 ' HG3' ' HE2' ' A' ' 75' ' ' MET . 22.8 tp60 -63.04 -39.76 95.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.638 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -66.87 -46.98 73.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.37 -41.57 97.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.196 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -68.09 -37.14 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.6 ' HE2' ' HG3' ' A' ' 71' ' ' GLN . 67.4 mtm -70.79 -39.64 73.01 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.149 179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -67.93 -26.38 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.67 179.064 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -69.15 -27.03 65.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -95.32 -63.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.662 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 48.4 mtt180 -141.58 -75.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.327 . . . . 0.0 111.163 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.49 ' HA ' ' HE3' ' A' ' 76' ' ' LYS . 38.7 p90 -157.26 174.9 14.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.244 178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -87.31 130.77 34.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.795 -178.074 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -136.9 112.0 9.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -108.84 -52.64 2.74 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 171.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.441 -0.79 . . . . 0.0 108.965 174.865 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.807 0.337 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.455 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 17.1 tptm -176.04 -56.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.41 . . . . 0.0 110.711 -176.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HG2' ' HG3' ' A' ' 2' ' ' LYS . 14.4 pt20 -160.65 80.99 2.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 121.217 0.532 . . . . 0.0 111.736 -174.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -87.7 63.91 3.75 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.58 2.186 . . . . 0.0 111.521 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 p -57.36 -38.99 75.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.848 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m 60.94 91.73 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.302 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.96 149.04 41.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.808 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.19 79.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.096 0.474 . . . . 0.0 110.913 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -79.47 100.91 7.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.878 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m 60.64 26.9 16.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.338 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.3 m 45.34 -163.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.455 1.102 . . . . 0.0 113.168 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.25 135.05 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.262 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 17.38 12.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 69.2 164.41 0.25 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.748 0.655 . . . . 0.0 111.715 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.21 -59.08 2.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.6 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -167.93 155.32 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.208 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.5 mttp 63.91 -171.84 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.672 0.608 . . . . 0.0 110.437 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 84.03 44.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.64 103.47 1.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.682 2.255 . . . . 0.0 113.094 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.62 78.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.902 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -115.98 -15.99 11.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.471 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 71.19 -36.32 0.36 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.788 0.835 . . . . 0.0 113.249 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.67 128.33 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.748 0.309 . . . . 0.0 111.209 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 11.8 mptt -93.95 142.24 27.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 176.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -62.51 -54.5 38.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 110.477 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -174.66 -78.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.484 -0.78 . . . . 0.0 108.992 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.6 p -118.02 133.9 55.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 169.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -156.3 178.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 -172.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.09 132.47 53.54 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 170.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 m -73.24 154.5 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.1 m -57.04 -35.61 69.52 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 120.689 0.28 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 m -55.61 -46.28 77.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.357 0.598 . . . . 0.0 110.348 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 13.0 mt-30 -70.66 -44.43 67.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.82 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -59.47 -43.02 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.467 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.7 m -56.1 -44.97 79.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.497 0.189 . . . . 0.0 110.704 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.572 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 92.1 t -65.4 -44.86 94.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 120.836 0.351 . . . . 0.0 111.005 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 33' ' ' GLN . 90.0 mt -64.31 -45.33 88.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.148 0.499 . . . . 0.0 110.894 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -68.31 -32.73 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.444 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.98 -43.64 86.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 36' ' ' VAL . 9.9 mpt_? -66.84 -47.43 71.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.79 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.35 -22.92 63.82 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -79.87 -27.25 40.08 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -103.21 -16.54 15.67 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.489 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -146.92 144.25 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -65.23 -46.88 78.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -176.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -145.0 169.21 18.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.464 0.173 . . . . 0.0 110.718 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.49 150.55 20.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.46 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -91.78 -179.45 5.33 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 121.072 0.463 . . . . 0.0 110.537 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.4 tm? -64.11 -39.21 93.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.727 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -75.29 -28.2 59.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.049 0.452 . . . . 0.0 110.7 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.04 -40.6 53.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.6 ptp -62.95 -35.62 80.73 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.442 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -74.14 -33.43 63.52 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.087 175.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 58' ' ' ILE . 42.9 tt0 -65.6 -53.76 37.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.382 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.8 -35.3 74.4 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.9 t -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.951 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -70.23 -37.32 74.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 0.0 110.934 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 54' ' ' GLU . 14.2 mm -66.54 -40.58 86.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.448 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.02 1.73 57.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.678 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 53.76 39.69 30.59 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 122.047 0.927 . . . . 0.0 109.808 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.39 177.35 4.82 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.992 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HG3' ' A' ' 65' ' ' GLN . 31.4 t -87.36 148.07 25.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.312 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.08 -32.95 70.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.615 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.6 -35.71 81.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.545 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.504 ' HG3' ' HB3' ' A' ' 62' ' ' SER . 55.2 mt-30 -72.24 -43.77 63.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -73.39 -37.91 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.237 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -70.3 -45.55 66.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.541 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.1 m -66.77 -36.63 82.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 42.4 t90 -60.28 -52.11 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -56.04 -44.25 78.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.912 176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -58.13 -48.23 80.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.462 -178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.24 -36.54 63.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.07 -175.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 69' ' ' TRP . 15.7 mm100 -61.11 -40.86 95.34 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -67.86 -39.49 83.75 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.262 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.513 ' HA ' ' HG2' ' A' ' 78' ' ' LYS . 70.8 mtm -66.96 -34.92 78.82 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.973 -178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -66.93 -35.02 79.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.861 0.363 . . . . 0.0 110.667 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.8 m -76.84 -38.06 54.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.569 -176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 75' ' ' MET . 9.6 ptmt -78.58 -31.48 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.433 -177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -111.18 26.9 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.756 -172.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.415 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 39.6 t90 -77.76 92.97 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 80' ' ' TRP . 29.0 mt-30 -160.93 166.24 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -122.94 70.18 1.01 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.138 0.494 . . . . 0.0 111.595 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -174.06 135.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.121 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.474 -177.458 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.494 ' OG ' ' HG2' ' A' ' 51' ' ' GLN . 32.4 m . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 120.796 0.331 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -151.1 -71.29 0.17 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -119.27 82.62 23.72 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.375 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.579 ' HG2' HD13 ' A' ' 58' ' ' ILE . 7.1 Cg_exo -74.51 -41.7 0.78 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.525 2.15 . . . . 0.0 111.552 177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.7 m -99.62 90.92 4.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.776 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -138.62 15.69 2.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.429 0.633 . . . . 0.0 109.404 175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.05 145.32 41.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.842 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -95.37 97.43 9.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.055 0.455 . . . . 0.0 110.718 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -91.32 116.94 29.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.924 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.9 m -92.52 173.4 7.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.3 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t 59.52 72.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.694 0.759 . . . . 0.0 109.844 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.66 96.84 5.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.329 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.9 118.85 13.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.954 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -78.75 151.96 31.76 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.123 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.66 122.38 18.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.784 0.326 . . . . 0.0 110.192 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -85.85 18.67 2.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.313 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 25.9 pttm -76.16 106.29 7.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.436 0.636 . . . . 0.0 109.572 176.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.9 p -129.07 89.24 49.09 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.667 -173.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.39 86.1 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.199 2.599 . . . . 0.0 113.19 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.2 t 56.97 72.49 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.639 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.45 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 64.54 -174.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.659 -176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -64.38 -17.78 64.06 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -173.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.728 ' HG2' ' H ' ' A' ' 24' ' ' LYS . 37.7 tt0 64.11 -176.48 0.16 Allowed 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.676 0.61 . . . . 0.0 111.135 174.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.728 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 20.0 ptmt -125.49 95.32 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.573 0.701 . . . . 0.0 110.182 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -102.0 162.94 12.53 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.827 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -76.97 -57.63 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.5 HG22 ' H ' ' A' ' 28' ' ' VAL . 1.1 m -159.5 171.55 19.48 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 171.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' H ' HG22 ' A' ' 27' ' ' THR . 14.1 m -145.45 -178.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.846 -177.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -85.9 173.19 10.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.292 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -75.69 153.49 37.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -62.13 -32.48 73.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.6 m -64.44 -45.63 86.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.482 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.593 ' HA ' HD22 ' A' ' 59' ' ' LEU . 90.3 mt-30 -64.66 -45.48 86.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.27 -46.79 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.074 -178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.32 -35.55 81.21 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.991 -176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.588 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 90.9 t -68.06 -43.88 85.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 120.915 0.388 . . . . 0.0 110.251 178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -59.13 -43.13 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.1 0.476 . . . . 0.0 110.579 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.68 -53.4 34.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.251 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -66.12 -38.57 88.5 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.196 -173.033 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.588 ' HD2' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -52.08 -52.26 52.38 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.587 0.232 . . . . 0.0 111.276 173.029 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -71.96 -21.33 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.651 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -80.12 -27.31 39.18 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.676 175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 16.7 mmm180 -90.53 -37.73 13.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -129.33 155.69 45.21 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -62.73 -49.04 76.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 111.089 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -143.7 -165.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.505 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.4 mt -117.24 139.63 50.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.461 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.5 ' HB3' ' HG3' ' A' ' 51' ' ' GLN . 32.7 t -80.64 176.79 9.49 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 177.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.91 -40.33 87.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.014 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.43 -36.32 80.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.363 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.5 ' HG3' ' HB3' ' A' ' 48' ' ' SER . 43.5 mt-30 -75.07 -42.33 57.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.514 -175.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 23.0 ptp -65.48 -42.94 91.68 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.593 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.52 -36.17 68.27 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.626 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.674 ' O ' HG13 ' A' ' 58' ' ' ILE . 7.5 tp10 -69.82 -42.54 73.52 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.23 -35.88 76.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.58 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -56.13 -48.19 76.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.76 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 21.5 t30 -59.83 -41.47 91.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.212 177.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.674 HG13 ' O ' ' A' ' 54' ' ' GLU . 39.4 mt -69.23 -46.05 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.375 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 33' ' ' GLN . 78.7 mt -88.09 3.64 48.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -175.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 60.89 31.71 20.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.52 0.676 . . . . 0.0 109.819 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.92 -176.66 3.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.238 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -98.25 146.56 25.52 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -57.93 -34.36 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.311 176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.2 -43.81 93.92 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 15.0 mm-40 -67.98 -41.6 82.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.947 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.5 t -71.1 -40.64 75.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.755 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -62.54 -43.94 97.58 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.963 0.411 . . . . 0.0 110.645 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.2 m -60.86 -38.38 85.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.308 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -51.37 69.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.22 0.533 . . . . 0.0 110.317 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -40.57 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.228 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -73.1 -28.77 62.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.047 -175.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 75' ' ' MET . 10.9 t-20 -71.56 -44.14 65.07 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.535 ' OE1' ' HD3' ' A' ' 76' ' ' LYS . 13.9 mm100 -58.38 -41.44 84.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.351 173.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 15.0 mmm180 -64.36 -44.81 90.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -71.66 -25.39 62.11 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.757 -174.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' OE1' ' A' ' 73' ' ' GLN . 14.0 ptmm? -87.18 -17.92 31.56 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.1 m -50.45 -29.13 9.6 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -170.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.5 -64.41 0.91 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -143.43 -73.31 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.419 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -141.18 102.07 4.16 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.402 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 6.4 mp0 61.45 -172.89 0.14 Allowed 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.953 0.783 . . . . 0.0 110.817 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -76.13 87.26 3.0 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -93.69 118.87 31.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.087 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.46 ' C ' HD22 ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.865 0 O-C-N 124.182 0.926 . . . . 0.0 109.863 -178.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 63.57 -174.11 0.16 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.84 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -130.87 75.79 78.11 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 175.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -77.74 63.08 7.99 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.624 2.216 . . . . 0.0 111.795 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.9 m -118.13 -32.01 4.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.724 0.773 . . . . 0.0 109.806 177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 p -112.09 85.43 2.15 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.373 177.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.37 -38.6 14.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 65.7 88.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.257 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 12' ' ' ALA . 14.3 p-10 -93.46 97.11 10.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.845 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.36 -49.47 67.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.707 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -111.05 24.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.777 0.799 . . . . 0.0 109.726 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . . . 73.15 -59.77 0.56 Allowed 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.45 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 45.0 tttp 68.22 116.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.618 0.574 . . . . 0.0 110.553 -173.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HB2' ' HG3' ' A' ' 19' ' ' PRO . 52.7 mtpt -123.46 92.18 3.63 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.483 0.659 . . . . 0.0 110.031 177.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 63.49 -85.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.511 -177.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -130.03 -154.84 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.498 0.19 . . . . 0.0 110.639 -170.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -72.49 95.4 1.79 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.003 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 64.0 t 59.1 89.06 0.11 Allowed Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 121.002 0.43 . . . . 0.0 111.132 178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.619 ' HG3' ' HB2' ' A' ' 14' ' ' LYS . 13.2 Cg_endo -54.52 172.34 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.316 2.677 . . . . 0.0 113.184 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.2 t 65.98 93.06 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.831 -173.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -148.66 -62.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.933 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -163.96 28.83 0.08 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.352 0.596 . . . . 0.0 110.147 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.49 86.04 5.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.498 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.8 pttt -95.71 83.23 3.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.725 0.774 . . . . 0.0 110.766 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 t -88.51 157.33 18.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.458 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.607 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 4.7 tpm_? -73.49 -45.76 52.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 110.202 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.6 p -130.13 150.32 51.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.577 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.64 153.65 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.979 0.419 . . . . 0.0 111.135 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 21.6 m-30 -118.02 176.61 5.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 174.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 t -58.42 152.65 17.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 t -60.57 -37.04 80.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.995 0.426 . . . . 0.0 109.972 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.3 m -66.15 -41.08 90.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.695 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 29' ' ' PHE . 85.8 mt -59.35 -49.96 75.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.504 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.0 m -68.43 -30.72 69.67 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.672 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 45.7 t -66.18 -45.51 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.119 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.76 -44.04 94.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.423 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 11.4 t-20 -60.34 -49.06 79.11 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.369 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 13.4 t70 -56.66 -50.1 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.111 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 36' ' ' VAL . 14.1 mmt180 -62.3 -40.82 97.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.222 -175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -71.73 -22.44 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.095 179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' ASN . 16.0 mm100 -80.27 -25.21 39.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 174.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.696 ' HG2' ' O ' ' A' ' 39' ' ' ASP . 31.3 mmt180 -83.33 -50.3 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.303 0.573 . . . . 0.0 110.115 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -126.94 153.11 46.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.002 -172.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.28 -51.43 67.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.487 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.682 ' HB3' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -147.32 152.98 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.171 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.37 144.52 34.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.838 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -79.0 177.38 8.84 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -40.3 94.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.431 -175.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -71.97 -36.65 69.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.628 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -70.98 -37.25 72.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.884 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 22.9 ptp -66.19 -44.55 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.29 -34.69 65.91 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.66 ' O ' HG13 ' A' ' 58' ' ' ILE . 8.0 tp10 -59.81 -53.24 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.36 -41.22 72.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.004 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.9 m -53.69 -54.39 38.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.5 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -66.73 -31.6 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.66 HG13 ' O ' ' A' ' 54' ' ' GLU . 25.7 mt -70.46 -40.74 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.098 -178.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 59' ' ' LEU . 4.4 mm? -93.76 7.78 43.57 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.096 -177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 t30 60.63 36.68 19.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.979 0.895 . . . . 0.0 110.084 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.15 174.18 5.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.234 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.1 t -96.57 140.11 31.68 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.322 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.82 -30.49 67.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.235 0.54 . . . . 0.0 109.742 174.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.11 -39.44 93.11 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.462 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.58 ' HA ' ' OE1' ' A' ' 65' ' ' GLN . 10.4 mm-40 -75.38 -44.12 46.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.496 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.0 t -67.45 -41.75 86.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.943 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 70' ' ' PHE . 1.1 tmmt? -69.03 -39.91 78.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.054 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.0 m -68.22 -40.29 82.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.837 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.42 ' HA ' ' ND2' ' A' ' 72' ' ' ASN . 11.8 t90 -65.91 -33.17 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.682 ' HE1' ' HB3' ' A' ' 46' ' ' TYR . 68.2 t80 -58.64 -45.19 89.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.552 173.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 74.0 mm-40 -65.94 -28.34 68.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.746 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 95.4 m-20 -66.49 -42.14 87.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.467 178.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.96 -37.36 79.33 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.581 ' NE ' ' HA ' ' A' ' 74' ' ' ARG . 1.9 mmp_? -64.09 -41.55 97.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.206 176.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.471 ' HG2' ' HA ' ' A' ' 72' ' ' ASN . 17.0 ptp -73.49 -34.89 65.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.766 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 97.7 mttt -61.69 -26.67 68.18 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.552 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.3 m -57.42 -50.0 74.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.657 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -97.82 -23.87 15.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.788 0.328 . . . . 0.0 111.75 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.666 ' HG2' ' HB3' ' A' ' 83' ' ' ASN . 28.7 ttt85 -97.62 6.6 47.79 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.037 -170.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.506 ' HB2' ' O ' ' A' ' 76' ' ' LYS . 10.0 t90 -66.67 126.45 28.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.94 0.4 . . . . 0.0 111.367 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 78.5 mm-40 76.08 3.82 3.72 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.809 177.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -122.14 23.65 9.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.616 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.666 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 4.6 p-10 -116.98 160.76 20.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.453 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 173.536 . . . . . . . . 0 0 . 1 stop_ save_